input word = C00041434

Metabolite InformationStructural formula
Name Cimicifugic acid B
(+)-Cimicifugic acid B
Formula C21H20O11
Mw 448.10056148
CAS RN 205114-66-5
C_ID C00041434 ,
InChIKey YVHLLZXSGPDXOA-KVELHGSHNA-N
InChICode InChI=1S/C21H20O11/c1-31-16-6-3-11(8-15(16)24)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-2-5-13(22)14(23)9-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)/b7-4+/t18-,21-/m1/s1
SMILES c1(ccc(cc1O)/C=C/C(=O)O[C@@H]([C@@](Cc1ccc(c(c1)O)O)(O)C(=O)O)C(=O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeActaea racemosa Ref.
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OrganismActaea racemosa
ReferenceNuntanakorn,J.Nat.Prod.,69,(2006),314