input word = C00002421

Metabolite InformationStructural formula
Name Cimifugin
Formula C16H18O6
Mw 306.11033831
CAS RN 37921-38-3
C_ID C00002421 ,
InChIKey ATDBDSBKYKMRGZ-UGPWUYPHNA-N
InChICode InChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1
SMILES c12c(c(c3c(c1)O[C@@H](C3)C(C)(C)O)OC)c(=O)cc(o2)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLedebouriella seseloides Ref.
PlantaeApiaceaeOstericum koreanum Ref.
PlantaeRanunculaceaeCimicifuga spp. Ref.
PlantaeRanunculaceaeEranthis pinnatifida Ref.
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OrganismCimicifuga spp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter34