input word = C00051139

Metabolite InformationStructural formula
Name Khellol
Formula C13H10O5
Mw 246.05282343
CAS RN 478-79-5
C_ID C00051139
InChIKey QBZKHNHPZMJJJI-UHFFFAOYSA-N
InChICode InChI=1S/C13H10O5/c1-16-13-8-2-3-17-10(8)5-11-12(13)9(15)4-7(6-14)18-11/h2-5,14H,6H2,1H3
SMILES COc1c2ccoc2cc2oc(CO)cc(=O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga simplex Ref.
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OrganismCimicifuga simplex
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979)