input word = C00040676

Metabolite InformationStructural formula
Name Xanthokeismin B
(+)-Xanthokeismin B
Formula C25H28O7
Mw 440.18350325
CAS RN 1037256-66-8
C_ID C00040676 ,
InChIKey SWONFSQDRVSFHS-MOMZCHLTNA-N
InChICode InChI=1S/C25H28O7/c1-24(2,30)13-4-14-25(3,31)23-22(29)20-19(32-23)12-10-17(21(20)28)18(27)11-7-15-5-8-16(26)9-6-15/h4-13,22-23,26,28-31H,14H2,1-3H3/b11-7+,13-4+/t22-,23-,25+/m0/s1
SMILES CC(C)(O)/C=C/CC(C)(O)[C@H]1Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica keiskei Ref.
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