input word = C00049328

Metabolite InformationStructural formula
Name Vernonioside F2
(+)-Vernonioside F2
Formula C40H60O16
Mw 796.38813587
CAS RN 202347-74-8
C_ID C00049328 ,
InChIKey YVYBPUYCXQWKNF-HPRXWQIXNA-N
InChICode InChI=1S/C40H60O16/c1-17(14-41)40(50)33-31(56-39(40,4)49)26(34(48)55-33)23-8-7-21-20-6-5-18-13-19(9-11-37(18,2)22(20)10-12-38(21,23)3)52-36-30(47)32(28(45)25(15-42)53-36)54-35-29(46)27(44)24(43)16-51-35/h7,17-19,23-33,35-36,41-47,49-50H,5-6,8-16H2,1-4H3/t17-,18+,19+,23-,24-,25-,26+,27+,28-,29-,30-,31+,32+,33-,35+,36-,37+,38+,39-,40-/m1/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[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia kotschyana Ref.
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