C_ID |
CAS ID |
Metabolite |
Molecular formula |
Mw | Organism |
C00000297 | 66-97-7 | Ficusin | C11H6O3 | 186.03169406 | Ruta graveolens |
C00000575 | 484-20-8 | 5-Methoxypsoralen | C12H8O4 | 216.04225874 | Ruta graveolens |
C00000576 | 298-81-7 | Xanthotoxin | C12H8O4 | 216.04225874 | Ruta graveolens |
C00000583 | 482-27-9 | Isopimpinellin | C13H10O5 | 246.05282343 | Ruta graveolens |
C00001122 | 492-62-6 | alpha-D-Glucose | C6H12O6 | 180.06338812 | Ruta graveolens |
C00001147 | 90-74-4 | Rutinose | C12H22O10 | 326.12129692 | Ruta graveolens |
C00001151 | 57-50-1 | D-Sucrose | C12H22O11 | 342.11621155 | Ruta graveolens |
C00001165 | 69-65-8 | D-Mannitol | C6H14O6 | 182.07903818 | Ruta graveolens |
C00001224 | 60-33-3 | Linoleic acid | C18H32O2 | 280.24023027 | Ruta graveolens |
C00001233 | 57-10-3 | Palmitic acid | C16H32O2 | 256.24023027 | Ruta graveolens |
C00001238 | 57-11-4 | Octadecanoic acid | C18H36O2 | 284.27153039 | Ruta graveolens |
C00001250 | 630-04-6 | Hentriacontane | C31H64 | 436.50080204 | Ruta graveolens |
C00001254 | 110-43-0 | 2-Heptanone | C7H14O | 114.10446507 | Ruta graveolens |
C00001259 | 91-20-3 | Naphthalene | C10H8 | 128.06260026 | Ruta graveolens |
C00001260 | 630-03-5 | Nonacosane | C29H60 | 408.46950191 | Ruta graveolens |
C00001270 | 630-05-7 | Triacontane | C33H68 | 464.53210217 | Ruta graveolens |
C00001388 | 147-85-3 | L-Proline | C5H9NO2 | 115.06332854 | Ruta graveolens |
C00002136 | 6873-15-0 | Arborine | C16H14N2O | 250.11061308 | Ruta graveolens |
C00002137 | 5489-57-6 | Arborinine | C16H15NO4 | 285.10010798 | Ruta graveolens |
C00002151 | 484-29-7 | Dictamine | C12H9NO2 | 199.06332854 | Ruta graveolens |
C00002159 | 524-15-2 | gamma-Fagarine | C13H11NO3 | 229.07389323 | Ruta graveolens |
C00002163 | 62541-22-4 | Furofoline I | C16H11NO3 | 265.07389323 | Ruta graveolens |
C00002163 | 62541-22-4 | Furofoline I | C16H11NO3 | 265.07389323 | Ruta graveolensis |
C00002169 | 485-61-0 | Graveoline | C17H13NO3 | 279.08954329 | Ruta graveolensis |
C00002169 | 485-61-0 | Graveoline | C17H13NO3 | 279.08954329 | Ruta graveolens |
C00002177 | 484-08-2 | Kokusaginine | C14H13NO4 | 259.08445791 | Ruta graveolens |
C00002194 | 6883-22-3 | Ribalinium | C16H20NO4 | 290.13923313 | Ruta graveolens |
C00002195 | 2255-50-7 | Robustine | C12H9NO3 | 215.05824316 | Ruta graveolens |
C00002196 | 17948-33-3 | Rutacridone | C19H17NO3 | 307.12084342 | Ruta graveolens |
C00002196 | 17948-33-3 | Rutacridone | C19H17NO3 | 307.12084342 | Ruta graveolensis |
C00002197 | 77996-03-3 | Rutacridone epoxide | C19H17NO4 | 323.11575804 | Ruta graveolens |
C00002198 | 83-95-4 | Skimmianine | C14H13NO4 | 259.08445791 | Ruta graveolens |
C00002453 | 482-25-7 | (+)-Byakangelicin | C17H18O7 | 334.10525293 | Ruta graveolens |
C00002456 | 13164-03-9 | Chalepensin | C16H14O3 | 254.09429431 | Ruta graveolens |
C00002463 | 2034-69-7 | Daphnoretin | C19H12O7 | 352.05830274 | Ruta graveolens |
C00002476 | 531-59-9 | Herniarin | C10H8O3 | 176.04734412 | Ruta graveolens |
C00002488 | 484-12-8 | Osthol | C15H16O3 | 244.10994438 | Ruta graveolens |
C00002495 | 14882-94-1 | Rutamarin | C21H24O5 | 356.16237388 | Ruta graveolens |
C00002496 | 20320-81-4 | Rutarin | C20H24O10 | 424.13694699 | Ruta graveolens |
C00002499 | 92-61-5 | Scopoletin | C10H8O4 | 192.04225874 | Ruta graveolens |
C00002503 | 93-35-6 | Umbelliferone | C9H6O3 | 162.03169406 | Ruta graveolens |
C00002505 | 553-19-5 | Xanthyletin | C14H12O3 | 228.07864425 | Ruta graveolens |
C00002624 | 493-95-8 | Savinin | C20H16O6 | 352.09468824 | Ruta graveolens |
C00002739 | 487-11-6 | Elemicin | C12H16O3 | 208.10994438 | Ruta graveolens |
C00002771 | 94-59-7 | Safrole | C10H10O2 | 162.06807956 | Ruta graveolens |
C00002776 | 530-59-6 | Sinapic acid | C11H12O5 | 224.06847349 | Ruta graveolens |
C00002861 | 478-43-3 | Rhein | C15H8O6 | 284.03208799 | Ruta graveolens |
C00003672 | 83-46-5 | (-)-beta-Sitosterol | C29H50O | 414.38616622 | Ruta graveolens |
C00003820 | 480-44-4 | Acacetin | C16H12O5 | 284.06847349 | Ruta graveolens |
C00004631 | 117-39-5 | Quercetin | C15H10O7 | 302.04265268 | Ruta graveolens |
C00004635 | 480-19-3 | Isorhamnetin | C16H12O7 | 316.05830274 | Ruta graveolens |
C00004723 | 18799-01-4 | Ranupetin | C16H12O8 | 332.05321736 | Ruta graveolens |
C00005413 | 153-18-4 | Quercetin 3-rutinoside | C27H30O16 | 610.15338491 | Ruta graveolens |
C00005413 | 153-18-4 | Quercetin 3-rutinoside | C27H30O16 | 610.15338491 | First Ruta graveolens |
C00005548 | 604-80-8 | Isorhamnetin 3-O-rutinoside | C28H32O16 | 624.16903498 | Ruta graveolens |
C00005701 | 85122-22-1 | Ranupenin 3-rutinoside | C28H32O17 | 640.1639496 | Ruta graveolens |
C00007211 | 18920-47-3 | Helioxanthin | C20H12O6 | 348.06338812 | Ruta graveolens |
C00007542 | 629-80-1 | Hexadecanal | C16H32O | 240.24531564 | Ruta graveolens |
C00012005 | 639-99-6 | (-)-Elemol | C15H26O | 222.19836545 | Ruta graveolens |
C00012025 | 6902-73-4 | Geijerene | C12H18 | 162.14085057 | Ruta graveolens |
C00012406 | 20082-17-1 | Pregeijerene | C12H18 | 162.14085057 | Ruta graveolens |
C00014041 | 869669-58-9 | Isovitexin 6''-O-rhamnoside | C27H30O14 | 578.16355567 | Ruta graveolens |
C00019221 | 120-51-4 | Benzyl benzoate | C14H12O2 | 212.08372963 | Ruta graveolens |
C00019813 | 74794-83-5 | Citrubuntin | C15H14O3 | 242.09429431 | Ruta graveolens |
C00024230 | 13161-83-6 | 1-Hydroxy-3-methoxy-N-methylacridone | C15H13NO3 | 255.08954329 | Ruta graveolens |
C00024231 | 16584-54-6 | 1-Hydroxy-N-methylacridone | C14H11NO2 | 225.0789786 | Ruta graveolens |
C00024262 | 59086-97-4 | Gravacridonediol glucoside | C25H29NO10 | 503.17914616 | Ruta graveolens |
C00025430 | 74054-38-9 | Norgraveoline | C16H11NO3 | 265.07389323 | Ruta graveolens |
C00026351 | 7688-58-6 | (-)-Ribalinine | C15H17NO3 | 259.12084342 | Ruta graveolens |
C00026352 | 27495-37-0 | Isoplatydesmine | C15H17NO3 | 259.12084342 | Ruta graveolens |
C00026422 | 27495-36-9 | Edulinine | C16H21NO4 | 291.14705817 | Ruta graveolens |
C00026477 | 2221-41-2 | 6-Methoxydictamnine | C13H11NO3 | 229.07389323 | Ruta graveolens |
C00029455 | 6175-49-1 | 2-Dodecanone | C12H24O | 184.18271539 | Ruta graveolens |
C00029463 | 821-55-6 | 2-Nonanone | C9H18O | 142.1357652 | Ruta graveolens |
C00029680 | 495-30-7 | Ammajin | C20H24O9 | 408.14203237 | Ruta graveolens |
C00030099 | 112-31-2 | Decanal | C10H20O | 156.15141526 | Ruta graveolens |
C00030471 | 593-49-7 | Heptacosane | C27H56 | 380.43820179 | Ruta graveolens |
C00030478 | 630-01-3 | Hexacosane | C26H54 | 366.42255172 | Ruta graveolens |
C00030532 | 482-45-1 | Isoimperatorin | C16H14O4 | 270.08920894 | Ruta graveolens |
C00030758 | 112-12-9 | 2-Undecanone | C11H22O | 170.16706532 | Ruta graveolens |
C00030879 | 593-45-3 | n-Octadecane | C18H38 | 254.29735121 | Ruta graveolens |
C00030958 | 629-99-2 | n-Pentacosane | C25H52 | 352.40690166 | Ruta graveolens |
C00030959 | 2765-11-9 | Pentadecanal | C15H30O | 226.22966558 | Ruta graveolens |
C00031684 | 141896-53-9 | Cnidioside A | C17H20O9 | 368.11073224 | Ruta graveolens |
C00032307 | 646-31-1 | Tetracosane | C24H50 | 338.39125159 | Ruta graveolens |
C00032409 | 638-67-5 | n-Tridecane | C23H48 | 324.37560153 | Ruta graveolens |
C00032657 | 53539-37-0 | 4-O-p-Coumaroylquinic acid | C16H18O8 | 338.10016755 | Ruta graveolens |
C00032667 | 6035-49-0 | 6,7,8-Trimethoxy-2H-1-benzopyran-2-one | C12H12O5 | 236.06847349 | Ruta graveolens |
C00033282 | 33889-70-2 | Pabulenol | C16H14O5 | 286.08412356 | Ruta graveolens |
C00034614 | 630-02-4 | Octacosane | C28H58 | 394.45385185 | Ruta graveolens |
C00034760 | 693-54-9 | 2-Decanone | C10H20O | 156.15141526 | Ruta graveolens |
C00035557 | 112-14-1 | Caprylyl acetate | C10H20O2 | 172.14632988 | Ruta graveolens |
C00035561 | 13164-04-0 | Chalepin | C19H22O4 | 314.15180919 | Ruta graveolens |
C00035641 | 630-06-8 | Hexatriacontane | C36H74 | 506.57905236 | Ruta graveolens |
C00035939 | 1899-29-2 | 3-O-Feruloylquinic acid | C17H20O9 | 368.11073224 | Ruta graveolens |
C00036248 | 56554-87-1 | 16-Octadecenal | C18H34O | 266.26096571 | Ruta graveolens |
C00036263 | 593-08-8 | 2-Tridecanone | C13H26O | 198.19836545 | Ruta graveolens |
C00036521 | 139891-98-8 | 3,6'-Disinapoyl sucrose | C34H42O19 | 754.23202916 | Ruta graveolens |
C00037863 | 35897-95-1 | Suberenone | C14H12O4 | 244.07355887 | Ruta graveolensis |
C00037863 | 35897-95-1 | Suberenone | C14H12O4 | 244.07355887 | Ruta graveolens |
C00046308 | 169312-28-1 | Picraquassioside A | C18H22O10 | 398.12129692 | Ruta graveolens |
C00046757 | 4179-37-7 | Graveolinine | C17H13NO3 | 279.08954329 | Ruta graveolensis |
C00046757 | 4179-37-7 | Graveolinine | C17H13NO3 | 279.08954329 | Ruta graveolens |
C00046780 | 62512-94-1 | Isogravacridonechlorine | C19H18ClNO4 | 359.09243578 | Ruta graveolens |
C00048277 | 55396-45-7 | 2-n-Nonylquinolin-4(1H)-one | C18H25NO | 271.19361443 | Ruta graveolens |
C00050597 | 37551-75-0 | Gravacridonediol | C19H19NO5 | 341.12632272 | Ruta graveolens |
C00050995 | 53846-51-8 | Isorutarin | C20H24O10 | 424.13694699 | Ruta graveolens |
C00051571 | 55682-92-3 | Methyl montanate | C29H58O2 | 438.44368109 | Ruta graveolens |
C00051914 | 28333-02-0 | 1,3-Dihydroxy-N-methylacridone | C14H11NO3 | 241.07389323 | Ruta graveolens |
C00052041 | | N-Methyl anthraniloyl-CoA | C29H43N8O17P3S | 900.16797221 | Ruta graveolens |
C00052042 | | N-Methylanthranilate | C8H9NO2 | 151.06332854 | Ruta graveolens |
C00052050 | 87936-14-9 | (-)-(S)-Ribalinidine | C15H17NO4 | 275.11575804 | Ruta graveolens ssp. Hortensis |
C00052050 | 87936-14-9 | (-)-(S)-Ribalinidine | C15H17NO4 | 275.11575804 | Ruta graveolens |
C00052298 | 81545-69-9 | Gravacridonol | C19H17NO4 | 323.11575804 | Ruta graveolens |
C00052299 | 38494-85-8 | Gravacridonolchlorine | C19H18ClNO5 | 375.0873504 | Ruta graveolens |
C00052300 | 59086-94-1 | Gravacridontriol | C19H19NO6 | 357.12123735 | Ruta graveolens |
C00052302 | 109897-77-0 | 2-Acetyl-5-hydroxy-11-methylfuro[2,3-c]acridin-6(11H)-one | C18H13NO4 | 307.08445791 | Ruta graveolens |
C00052321 | 80565-10-2 | Hydroxyrutacridone epoxide | C19H17NO5 | 339.11067266 | Ruta graveolens |
C00052404 | 6872-52-2 | Ribaline | C15H17NO4 | 275.11575804 | Ruta graveolens |
C00052404 | 6872-52-2 | Ribaline | C15H17NO4 | 275.11575804 | Ruta graveolens spp. hortensis |
C00052406 | 27539-40-8 | Rutalinium | C16H20NO4 | 290.13923313 | Ruta graveolens |
C00052406 | 27539-40-8 | Rutalinium | C16H20NO4 | 290.13923313 | Ruta graveolens ssp.hortensis |
C00053113 | 5802-82-4 | Cerotic acid, methyl ester | C27H54O2 | 410.41238097 | Ruta graveolens |
C00053156 | 929-77-1 | Docosanoic acid methyl ester | C23H46O2 | 354.34978071 | Ruta graveolens |
C00053253 | 554-91-6 | Gentiobiose | C12H22O11 | 342.11621155 | Ruta graveolens |
C00053574 | 143-13-5 | FEMA 2788 | C11H22O2 | 186.16197995 | Ruta graveolens |
C00053686 | 22333-50-2 | Pinnarin | C16H18O4 | 274.12050906 | Ruta graveolens |
C00053758 | 31526-60-0 | Rutacultin | C16H18O4 | 274.12050906 | Ruta graveolens |
C00054195 | 6866-87-1 | Digitoemodin | C15H10O4 | 254.05790881 | Ruta graveolens |
C00054393 | 208333-73-7 | 7-Acetoxy-6-hydroxylimonin. | C28H34O10 | 530.21519731 | Ruta graveolens |
C00055158 | 118389-19-8 | exo-Dehydrochalepin | C19H20O3 | 296.1412445 | Ruta graveolens |
C00055391 | 3749-38-0 | Daphnoretin methyl ether | C20H14O7 | 366.0739528 | Ruta graveolens |
C00056027 | 638-66-4 | Octadecanal | C18H36O | 268.27661577 | Ruta graveolens |
C00056342 | 101330-59-0 | 1-Hydroxyrutacridone epoxide | C19H17NO5 | 339.11067266 | Ruta graveolens |
C00056498 | 114032-22-3 | 2-Methoxy-8-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-6-methyl-1,4-naphthalenedione | C22H16O6 | 376.09468824 | Ruta graveolens |
C00056808 | 101330-60-3 | Rutagravine | C19H17NO5 | 339.11067266 | Ruta graveolens |
C00057123 | 160845-05-6 | Rutaretin 9-rutinoside | C26H34O14 | 570.1948558 | Ruta graveolens |
C00057430 | 53759-23-2 | 2,4-Pentadecanedione | C15H28O2 | 240.20893014 | Ruta graveolens |
C00057482 | 64042-18-8 | Myristoylacetone | C17H32O2 | 268.24023027 | Ruta graveolens |
C00057943 | 160845-06-7 | Xanthotoxol arabinoside | C16H14O8 | 334.06886743 | Ruta graveolens |
C00058051 | 2503-86-8 | 2-Undecyl-4(1H)-quinolinone N-oxide | C20H29NO2 | 315.21982918 | Ruta graveolens |
C00058137 | 56183-46-1 | 2-Undecyl-4-quinolinol | C20H29NO | 299.22491455 | Ruta graveolens |
C00059099 | 1076-38-6 | 4-Hydroxycoumarin | C9H6O3 | 162.03169406 | Ruta graveolens |
C00059188 | 111-13-7 | 2-Octanone | C8H16O | 128.12011513 | Ruta graveolens |
C00059363 | 1187551-31-0 | (betaS)-beta,4-Dihydroxy-3,5-dimethoxy-benzenepropanoic acid, methyl ester | C12H16O6 | 256.09468824 | Ruta graveolens |
C00059364 | 1187551-32-1 | 3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-oxiranecarboxylic acid, methyl ester | C12H14O6 | 254.07903818 | Ruta graveolens |
C00059365 | 1187551-33-2 | 6-Hydroxy-7-methoxy-5-benzofuranpropanoic acid, methyl ester | C13H14O5 | 250.08412356 | Ruta graveolens |
C00059861 | 14066-20-7 | Dihydrogen phosphate | H2O4P | 96.96907004 | Ruta graveolens |
C00060424 | 17889-77-9 | 2-[4'-(3',4'-Methylenedioxyphenyl)butyl]-4-quinolone | C20H19NO3 | 321.13649348 | Ruta graveolens |
C00060624 | 195006-74-7 | 2-Feruloyl-1-sinapoylgentiobiose | C33H40O18 | 724.22146448 | Ruta graveolens |
C00060625 | 195006-75-8 | 1,2-Disinapoylgentiobiose | C34H42O19 | 754.23202916 | Ruta graveolens |
C00060646 | 19723-23-0 | 3-(1,1-Dimethylallyl)scopoletin | C15H16O4 | 260.104859 | Ruta graveolens |
C00060803 | 2170909-82-5 | 3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one | C29H34O17 | 654.17959966 | Ruta graveolens |
C00061042 | 2442-49-1 | Methyl tetracosanoate | C25H50O2 | 382.38108084 | Ruta graveolens |
C00061136 | 2613-86-7 | 4-O-Feruloylquinic acid | C17H20O9 | 368.11073224 | Ruta graveolens |
C00061332 | 299159-90-3 | 7-Hydroxy-6-methoxy-3-(3-methyl-2-butenyl)coumarin | C15H16O4 | 260.104859 | Ruta graveolens |
C00061333 | 299159-91-4 | 2-Decyl-4-methoxyquinoline | C20H29NO | 299.22491455 | Ruta graveolens |
C00061334 | 299159-92-5 | 2-Dodecyl-4-methoxyquinoline | C22H33NO | 327.25621468 | Ruta graveolens |
C00061363 | 30551-15-6 | Nonenal | C9H16O | 140.12011513 | Ruta graveolens |
C00061409 | 321-30-2 | Adenine sulfate | C10H12N10O4S | 368.07636968 | Ruta graveolens |
C00061917 | 485803-65-4 | 2-[6-(1,3-Benzodioxol-5-yl)hexyl]-1-methyl-4(1H)-quinolinone | C23H25NO3 | 363.18344367 | Ruta graveolens |
C00061994 | 5073-13-2 | 2-(3-Phenylpropyl)furan | C13H14O | 186.10446507 | Ruta graveolens |
C00062001 | 50886-70-9 | Clausindin | C16H14O3 | 254.09429431 | Ruta graveolens |
C00062186 | 55282-14-9 | Docosane, 9-butyl- | C26H54 | 366.42255172 | Ruta graveolens |
C00062280 | 578-58-5 | 1-Methoxy-2-methylbenzene | C8H10O | 122.07316494 | Ruta graveolens |
C00062745 | 7098-22-8 | Tetratetracontane | C44H90 | 618.70425287 | Ruta graveolens |
C00062748 | 710293-62-2 | Gravacridontriol-18-beta-D-glucoside | C25H29NO11 | 519.17406078 | Ruta graveolens |
C00062749 | 710293-63-3 | Gravacridondiol-18-beta-D-glucoside | C25H29NO10 | 503.17914616 | Ruta graveolens |