input word = C00014541

Metabolite InformationStructural formula
Name (4''',5'',7-Trihydroxy-4',5,7''-trimethoxy-3,6''-bi-flavone)-3'''-O-4'''-(5,5'',7''-trihydroxy-3',3'',4'-trimethoxy-6-O-beta,7-alpha-flavone-chalcone)
Formula C66H46O21
Mw 1174.25315854
CAS RN 329191-73-3
C_ID C00014541 ,
InChIKey YKVJEEMUCBKKCU-UHFFFAOYSA-N
InChICode InChI=1S/C66H46O21/c1-77-35-13-7-30(8-14-35)65-59(62(75)57-48(81-5)23-34(68)24-50(57)86-65)58-49(82-6)28-52-55(61(58)74)40(71)26-43(85-52)31-11-17-38(69)45(19-31)83-36-15-9-29(10-16-36)64-53(60(73)54-39(70)21-33(67)22-47(54)80-4)37-25-51-56(63(76)66(37)87-64)41(72)27-44(84-51)32-12-18-42(78-2)46(20-32)79-3/h7-28,67-70,74,76H,1-6H3
SMILES c1c(c(cc(c1)c1oc2c(c(=O)c1)c(c1c(c2)c(c(o1)c1ccc(cc1)Oc1cc(ccc1O)c1cc(=O)c2c(o1)cc(c(c2O)c1c(=O)c2c(oc1c1ccc(cc1)OC)cc(cc2OC)O)OC)C(=O)c1c(cc(cc1OC)O)O)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAristolochia ridicula Ref.
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