input word = C00036902

Metabolite InformationStructural formula
Name Cimiracemate B
Formula C19H18O7
Mw 358.10525293
CAS RN 478294-17-6
C_ID C00036902 ,
InChIKey AOAGZRJZUKYLHH-QPJJXVBHSA-N
InChICode InChI=1S/C19H18O7/c1-25-18-10-12(2-6-16(18)22)4-7-19(24)26-11-14(20)8-13-3-5-15(21)17(23)9-13/h2-7,9-10,21-23H,8,11H2,1H3/b7-4+
SMILES COc1cc(/C=C/C(=O)OCC(=O)Cc2ccc(O)c(O)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga racemosa Ref.
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OrganismCimicifuga racemosa
ReferenceChen,Phytochem.,5,(2001),409