input word = C00036130

Metabolite InformationStructural formula
Name Kaerophyllin
Formula C21H20O6
Mw 368.12598837
CAS RN 126574-52-5
C_ID C00036130 ,
InChIKey CSKOHFAJPKLSBP-OKMOUJKBNA-N
InChICode InChI=1S/C21H20O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,8-10,15H,7,11-12H2,1-2H3/b16-8-/t15-/m0/s1
SMILES COc1ccc(/C=C2\C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeBupleurum scorzonerifolium Ref.
PlantaeClusiaceae-GuttiferaeMontrouziera sphaeroidea Pancher Ex Planchon et Triana Ref.
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