input word = C00049327

Metabolite InformationStructural formula
Name Vernonioside F1
(+)-Vernonioside F1
Formula C35H52O12
Mw 664.34587713
CAS RN 202347-73-7
C_ID C00049327 ,
InChIKey OBRXWRUGKZXJNU-HDFLFFGRNA-N
InChICode InChI=1S/C35H52O12/c1-16(14-36)35(43)29-28(47-34(35,4)42)24(30(41)46-29)22-8-7-20-19-6-5-17-13-18(9-11-32(17,2)21(19)10-12-33(20,22)3)44-31-27(40)26(39)25(38)23(15-37)45-31/h7,16-18,22-29,31,36-40,42-43H,5-6,8-15H2,1-4H3/t16-,17-,18-,22+,23+,24-,25+,26-,27+,28-,29+,31+,32-,33-,34+,35+/m0/s1
SMILES C1C2=C(C3=CC[C@@H]([C@]3(C1)C)[C@@H]1C(=O)O[C@@H]3[C@H]1O[C@]([C@@]3(O)[C@@H](C)CO)(O)C)CC[C@@H]1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia kotschyana Ref.
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OrganismVernonia kotschyana
ReferenceSanogo,Phytochem.,47,(1998),73