C_ID |
CAS ID |
Metabolite |
Molecular formula |
Mw | Organism |
C00000804 | 546-80-5 | (-)-3-Isothujone | C10H16O | 152.12011513 | Chenopodium ambrosioides |
C00000819 | 76-22-2 | (+)-Camphor | C10H16O | 152.12011513 | Chenopodium ambrosioides |
C00000828 | 67690-48-6 | (+)-Sabinone | C10H14O | 150.10446507 | Chenopodium ambrosioides |
C00000831 | 471-16-9 | Sabinol | C10H16O | 152.12011513 | Chenopodium ambrosioides |
C00000836 | 471-15-8 | beta-Thujone | C10H16O | 152.12011513 | Chenopodium ambrosioides |
C00000902 | 124847-17-2 | Traversiadiene | C20H32 | 272.25040102 | Chenopodium transversiana |
C00001048 | 527-95-7 | Herbacetin | C15H10O7 | 302.04265268 | Chenopodium murale |
C00001357 | 59-92-7 | 3,4-Dihydroxyphenylalanine | C9H11NO4 | 197.06880785 | Chenopodium quinoa |
C00001429 | 50-67-9 | 5-Hydroxytryptamine | C10H12N2O | 176.09496302 | Chenopodium rubrum |
C00001434 | 61-54-1 | Tryptamine | C10H12N2 | 160.1000484 | Chenopodium rubrum |
C00001581 | 15167-84-7 | Amaranthin | C30H34N2O19 | 726.17557692 | Chenopodium amaranticolor |
C00001582 | 18766-66-0 | Betalamic acid | C9H9NO5 | 211.04807241 | Chenopodium quinoa |
C00001583 | 2181-76-2 | Betanidin | C18H16N2O8 | 388.0906655 | Chenopodium quinoa |
C00001584 | 7659-95-2 | Betanin | C24H26N2O13 | 550.14348893 | Chenopodium quinoa |
C00001586 | 114847-18-6 | Celosianin II | C40H42N2O22 | 902.22292105 | Chenopodium rubrum |
C00001587 | 71199-31-0 | DOPA-betaxanthin | C18H18N2O8 | 390.10631557 | Chenopodium quinoa |
C00001604 | 135545-98-1 | Tyrosine-betaxanthin | C18H18N2O7 | 374.11140095 | Chenopodium quinoa |
C00002499 | 92-61-5 | Scopoletin | C10H8O4 | 192.04225874 | Chenopodium murale |
C00003027 | 512-85-6 | Ascaridole | C10H16O2 | 168.11502975 | Chenopodium ambrosioides var. anthelminticum |
C00003027 | 512-85-6 | Ascaridole | C10H16O2 | 168.11502975 | Chenopodium botrys |
C00003027 | 512-85-6 | Ascaridole | C10H16O2 | 168.11502975 | Chenopodium spp. |
C00003040 | 99-87-6 | p-Cymene | C10H14 | 134.10955045 | Chenopodium ambrosioides |
C00003516 | 510-30-5 | Echinocystic acid | C30H48O4 | 472.35526002 | Chenopodium ambrosioides |
C00003794 | 480-40-0 | Chrysin | C15H10O4 | 254.05790881 | Chenopodium graveolens |
C00003890 | 18085-97-7 | Jaceosidin | C17H14O7 | 330.0739528 | Chenopodium ambrosioides |
C00004515 | 147526-77-0 | 7,3',4'-Trihydroxy-6-methoxyflavone 7-rhamnoside-3'-xyloside | C27H30O14 | 578.16355567 | Chenopodium ambrosioides |
C00004565 | 520-18-3 | Kaempferol | C15H10O6 | 286.04773805 | Chenopodium murale |
C00005140 | 482-39-3 | Afzelin | C21H20O10 | 432.10564686 | Chenopodium murale |
C00005149 | 16290-07-6 | Kaempferol 7-O-beta-D-glucopyranoside | C21H20O11 | 448.10056148 | Chenopodium murale |
C00005150 | 20196-89-8 | Kaempferol 7-O-rhamnoside | C21H20O10 | 432.10564686 | Chenopodium murale |
C00005150 | 20196-89-8 | Kaempferol 7-O-rhamnoside | C21H20O10 | 432.10564686 | Chenopodium ambrosioides |
C00005155 | 132294-84-9 | Kaempferol 3-apiosyl-(1->2)-galactoside | C26H28O15 | 580.14282023 | Chenopodium quinoa |
C00005159 | 108906-96-3 | Kaempferol 3-rhamnosyl-(1->2)-galactoside | C27H30O15 | 594.15847029 | Chenopodium fremontii |
C00005160 | 17297-56-2 | kaempferol 3-O-robinobioside | C27H30O15 | 594.15847029 | Chenopodium pallidicaule |
C00005160 | 17297-56-2 | kaempferol 3-O-robinobioside | C27H30O15 | 594.15847029 | Chenopodium fremontii |
C00005165 | 19895-95-5 | Kaempferol 3-O-sophoroside | C27H30O16 | 610.15338491 | Chenopodium fremontii |
C00005187 | 132618-21-4 | Kaempferol 3-rhamnoside-7-xyloside | C26H28O14 | 564.14790561 | Chenopodium ambrosioides |
C00005189 | 482-38-2 | Kaempferitrin | C27H30O14 | 578.16355567 | Chenopodium murale |
C00005195 | 132536-65-3 | Kaempferol 3-rhamnoside-4'-xyloside | C26H28O14 | 564.14790561 | Chenopodium ambrosioides |
C00005204 | 132185-73-0 | Kaempferol 3-(2Gal-apiosylrobinobioside) | C32H38O19 | 726.20072904 | Chenopodium quinoa |
C00005206 | 109008-28-8 | Mauritianin | C33H40O19 | 740.2163791 | Chenopodium quinoa |
C00005270 | 99878-05-4 | Rhamnocitrin 3-galactoside | C22H22O11 | 462.11621155 | Chenopodium fremontii |
C00005271 | 41545-37-3 | Rhamnocitrin 3-glucoside | C22H22O11 | 462.11621155 | Chenopodium fremontii |
C00005374 | 522-12-3 | Quercetin 3-O-alpha-L-rhamnoside | C21H20O11 | 448.10056148 | Chenopodium murale |
C00005401 | 52525-35-6 | Quercetin 3-O-rhamnosyl-(1->6)-galactoside | C27H30O16 | 610.15338491 | Chenopodium fremontii |
C00005409 | 18609-17-1 | Quercetin 3-O-sophoroside | C27H30O17 | 626.14829954 | Chenopodium fremontii |
C00005442 | 165880-62-6 | Quercetin 3-(2Gal-apiosylrobinobioside) | C32H38O20 | 742.19564366 | Chenopodium pallidicaule |
C00005444 | 124151-38-8 | Quercetin 3-(2Gal-rhamnosyl-robinobioside) | C33H40O20 | 756.21129372 | Chenopodium pallidicaule |
C00005451 | 63947-67-1 | Quercetin 3-(2G-apiosylrutinoside) | C32H38O20 | 742.19564366 | Chenopodium pallidicaule |
C00005506 | 27875-34-9 | Rhamnetin 3-glucoside | C22H22O12 | 478.11112617 | Chenopodium fremontii |
C00005538 | 53584-69-3 | Isorhamnetin 3-O-robinobioside | C28H32O16 | 624.16903498 | Chenopodium spp. |
C00005568 | 107656-83-7 | Isorhamnetin 3-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside] | C34H42O20 | 770.22694379 | Chenopodium pallidicaule |
C00005571 | 165605-18-5 | Isorhamnetin 3-(2G-apiosylrutinoside) | C33H40O20 | 756.21129372 | Chenopodium pallidicaule |
C00010820 | 61616-16-8 | (1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene | C10H16O2 | 168.11502975 | Chenopodium multifidum |
C00010849 | 78085-73-1 | (4S-trans)-4-Hydroxy-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-one | C10H16O2 | 168.11502975 | Chenopodium multifidum |
C00010850 | 78085-72-0 | (4S-cis)-4-Hydroxy-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-one | C10H16O2 | 168.11502975 | Chenopodium multifidum |
C00010921 | 89771-40-4 | [1S-(1alpha,2alpha,5alpha)]-2-Methyl-5-(1-methylethyl)-3-cyclohexene-1,2-diol | C10H18O2 | 170.13067982 | Chenopodium multifidum |
C00010922 | 89771-42-6 | [1R-(1alpha,2alpha,5beta)]-2-Methyl-5-(1-methylethyl)-3-cyclohexene-1,2-diol | C10H18O2 | 170.13067982 | Chenopodium multifidum |
C00010923 | 89771-41-5 | [1S-(1alpha,2beta,5alpha)]-2-Methyl-5-(1-methylethyl)-3-cyclohexene-1,2-diol | C10H18O2 | 170.13067982 | Chenopodium multifidum |
C00011043 | 19890-00-7 | (-)-Pinocarvone | C10H14O | 150.10446507 | Chenopodium ambrosioides |
C00011061 | 497-33-6 | gamma-Fenchene | C10H16 | 136.12520051 | Chenopodium botrys |
C00012000 | 64373-81-5 | 8alpha,11-Elemadiol | C15H26O2 | 238.19328007 | Chenopodium graveolens |
C00012698 | 70902-19-1 | [4aR-(4aalpha,5alpha,6beta,8abeta)]-4a,5,6,7,8,8a-Hexahydro-5-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone | C15H24O3 | 252.17254463 | Chenopodium botrys |
C00012699 | 74799-30-7 | [4aR-(4aalpha,5alpha,6beta,8abeta)]-5-(Acetyloxy)-4a,5,6,7,8,8a-hexahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone | C17H26O4 | 294.18310932 | Chenopodium botrys |
C00012735 | 67996-63-8 | [1S-(1alpha,2beta,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)-1-naphthalenol acetate | C17H26O2 | 262.19328007 | Chenopodium botrys |
C00012769 | 74841-83-1 | Chenopotetraol | C15H28O4 | 272.19875938 | Chenopodium botrys |
C00012770 | 74799-34-1 | [1S-(1alpha,2beta,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,2,8-naphthalenetriol | C15H28O4 | 272.19875938 | Chenopodium botrys |
C00012773 | 41929-25-3 | Pigmol | C15H28O3 | 256.20384476 | Chenopodium botrys |
C00012774 | 74799-31-8 | [1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol 1-acetate | C17H30O4 | 298.21440945 | Chenopodium botrys |
C00012777 | 67996-31-0 | alpha-Chenopodiol | C15H26O2 | 238.19328007 | Chenopodium botrys |
C00012783 | 68127-21-9 | beta-Chenopodiol | C15H26O2 | 238.19328007 | Chenopodium botrys |
C00012784 | 74841-79-5 | [1R-(1alpha,2beta,4abeta,8aalpha)]-1-(Acetyloxy)decahydro-alpha,alpha,4a-trimethyl-8-methylene-2-naphthalenemethanol | C17H28O3 | 280.20384476 | Chenopodium botrys |
C00012793 | 74799-43-2 | Isochenopotriol | C15H26O3 | 254.1881947 | Chenopodium botrys |
C00012796 | 70902-38-4 | Chenopotriol | C15H26O3 | 254.1881947 | Chenopodium botrys |
C00012797 | 74799-33-0 | [1R-(1alpha,2beta,4abeta,7beta,8aalpha)]-Decahydro-2-(1-hydroxy-1-methylethyl)-4a-methyl-8-methylene-1,7-naphthalenediol | C15H26O3 | 254.1881947 | Chenopodium botrys |
C00012843 | 74799-42-1 | Chenopodienolone | C15H22O2 | 234.16197995 | Chenopodium botrys |
C00013596 | 2306-27-6 | Sinensetin | C20H20O7 | 372.12090299 | Chenopodium botrys |
C00013596 | 2306-27-6 | Sinensetin | C20H20O7 | 372.12090299 | Chenopodium championii |
C00013694 | | Nepetin 7-rhamnoside-3'-xyloside | C27H30O15 | 594.15847029 | Chenopodium ambrosioides |
C00013755 | 262852-69-7 | Kaempferol 3-xylosyl-(1->4)-rhamnoside-7-rhamnoside | C32H38O18 | 710.20581441 | Chenopodium murale |
C00013756 | 238736-48-6 | Kaempferol 3-rhamnoside-7-xylosyl-(1->2)-rhamnoside | C32H38O18 | 710.20581441 | Chenopodium murale |
C00013757 | 262852-68-6 | Kaempferol 3-apiosyl-(1->4)-rhamnoside-7-rhamnoside | C32H38O18 | 710.20581441 | Chenopodium murale |
C00020405 | 65647-30-5 | Pleocarpenene | C15H26O2 | 238.19328007 | Chenopodium botrys |
C00020406 | 74799-29-4 | 11-Acetoxy-10(14)-guaien-4alpha-ol | C17H28O3 | 280.20384476 | Chenopodium botrys |
C00022191 | 50281-38-4 | Apo-9-zeaxanthinone | C13H20O2 | 208.14632988 | Chenopodium album |
C00029946 | 51415-02-2 | Chikusetsusaponin IVa | C42H66O14 | 794.44525682 | Chenopodium quinoa Wild. |
C00030509 | 129095-76-7 | Ilexoside XLVIII | C42H66O15 | 810.44017144 | Chenopodium quinoa Wild. |
C00033200 | 96990-19-1 | Momordin IIc | C47H74O18 | 926.48751556 | Chenopodium quinoa |
C00033566 | 1036373-74-6 | 3-O-alpha-L-arabinopyranosylserjanic acid 28-O-beta-D-glucopyranosyl ester | C42H66O14 | 794.44525682 | Chenopodium quinoa Wild. |
C00034186 | 191480-31-6 | Quinoasaponin 1 | C47H76O18 | 928.50316563 | Chenopodium quinoa Wild. |
C00034187 | 116107-22-3 | Quinoasaponin 2 | C48H78O19 | 958.51373031 | Chenopodium quinoa Wild. |
C00034188 | 116128-45-1 | Quinoasaponin 3 | C42H66O15 | 810.44017144 | Chenopodium quinoa Wild. |
C00034189 | 191480-32-7 | Quinoasaponin 4 | C48H76O20 | 972.49299487 | Chenopodium quinoa Wild. |
C00034190 | 116107-24-5 | Quinoasaponin 5 | C49H78O21 | 1002.50355956 | Chenopodium quinoa Wild. |
C00034191 | 128887-87-6 | Quinoasaponin 8 | C54H86O25 | 1134.5458183 | Chenopodium quinoa Wild. |
C00035142 | 666-48-43-9 | N-trans-Feruloyl tyramine | C18H19NO4 | 313.1314081 | Chenopodium album |
C00043138 | 52210-15-8 | (6R,9R)-9-Hydroxy-4-megastigmen-3-one | C13H20O2 | 208.14632988 | Chenopodium album |
C00043139 | 761409-25-0 | (6S,7E,9E,11E)-3-Oxo-13-apo-alpha-caroten-13-one | C18H24O3 | 288.17254463 | Chenopodium album |
C00043179 | 99810-23-8 | 3,6,9-Trihydroxy-4-megastigmene | C13H24O3 | 228.17254463 | Chenopodium album |
C00043180 | 63335-70-6 | 3,9-Dihydroxy-4-megastigmene | C13H24O2 | 212.17763001 | Chenopodium album |
C00045563 | 14398-34-6 | 3-Hydroxy-beta-ionone | C13H20O2 | 208.14632988 | Chenopodium album |
C00050601 | 425394-91-8 | (-)-(1R,4S)-p-Mentha-2,8-dien-1-hydroperoxide | C10H16O2 | 168.11502975 | Chenopodium ambrosioides |
C00050602 | 265110-78-0 | (-)-(1S,4S)-p-Mentha-2,8-dien-1-hydroperoxide | C10H16O2 | 168.11502975 | Chenopodium ambrosioides |
C00050603 | 77026-83-6 | (-)-(2R,4S)-p-Mentha-1(7),8-dien-2-hydroperoxide | C10H16O2 | 168.11502975 | Chenopodium ambrosioides |
C00050604 | 77026-84-7 | (-)-(2S,4S)-p-Mentha-1(7),8-dien-2-hydroperoxide | C10H16O2 | 168.11502975 | Chenopodium ambrosioides |
C00051834 | | Dopaxanthin-quinone | C18H16N2O8 | 388.0906655 | Chenopodium quinoa |
C00051835 | 18766-67-1 | Cyclo-DOPA | C9H9NO4 | 195.05315778 | Chenopodium quinoa |
C00051836 | | Leuko-DOPA-chrome-glucoside | C15H18O8 | 326.10016755 | Chenopodium quinoa |
C00051838 | 4430-97-1 | o-DOPA-quinone | C9H9NO4 | 195.05315778 | Chenopodium quinoa |
C00051980 | | 4,5-seco-DOPA | C9H11NO6 | 229.05863709 | Chenopodium quinoa |
C00051985 | 608-07-1 | 5-Methoxytryptamine | C11H14N2O | 190.11061308 | Chenopodium rubrum |
C00052006 | 73-31-4 | Melatonin | C13H16N2O2 | 232.12117777 | Chenopodium rubrum |
C00053981 | 911062-62-9 | Chenoalbuside | C23H28O12 | 496.15807636 | Chenopodium album |
C00054246 | 146671-16-1 | Chenopodin | C92H154N26O37S | 2247.06889086 | Chenopodium quinoa |
C00056727 | 125002-88-2 | N-trans-Isoferuloyl-3-O-methyldopamine | C19H21NO5 | 343.14197279 | Chenopodium album |
C00056965 | 123597-11-5 | Quinoside A | C53H86O23 | 1090.55598906 | Chenopodium quinoa |
C00056989 | 125407-60-5 | 13-Oxo-9,11-tridecadienoic acid | C13H20O3 | 224.1412445 | Chenopodium album |
C00058178 | 68985-14-8 | 1-O-Vanilloyl-beta-D-glucose | C14H18O9 | 330.09508217 | Chenopodium quinoa |