input word = C00040677

Metabolite InformationStructural formula
Name Xanthokeismin C
(+)-Xanthokeismin C
Formula C25H28O7
Mw 440.18350325
CAS RN 1037256-67-9
C_ID C00040677 ,
InChIKey QVZYQQARMOXBPW-JZPHDMAJNA-N
InChICode InChI=1S/C25H28O7/c1-14(2)18(27)12-13-25(3,31)24-23(30)21-20(32-24)11-9-17(22(21)29)19(28)10-6-15-4-7-16(26)8-5-15/h4-11,18,23-24,26-27,29-31H,1,12-13H2,2-3H3/b10-6+/t18-,23-,24-,25-/m0/s1
SMILES c1(ccc(cc1)O)/C=C/C(=O)c1c(c2c(cc1)O[C@@H]([C@H]2O)[C@@](CC[C@@H](C(=C)C)O)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica keiskei Ref.
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