input word = C00012134

Metabolite InformationStructural formula
Name Niveusin A
Formula C20H26O8
Mw 394.16276781
CAS RN 75680-26-1
C_ID C00012134 ,
InChIKey LJFIVFJQZWRSAJ-BCILYLRZNA-N
InChICode InChI=1S/C20H26O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h5-6,13-16,21-22,25H,3,7-9H2,1-2,4H3/b10-5-,12-6-/t13-,14-,15+,16+,19-,20-/m1/s1
SMILES C\1=C(/CO)\[C@]2(C[C@@H]([C@@](C[C@H]([C@@H]3[C@@H]1OC(=O)C3=C)OC(=O)/C(=C\C)/C)(O2)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus niveus Ref.
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