input word = C00050957

Metabolite InformationStructural formula
Name Isomexoticin
Formula C16H20O6
Mw 308.12598837
CAS RN 88585-86-8
C_ID C00050957
InChIKey JVCJUTNJQMKKCK-UGPWUYPHNA-N
InChICode InChI=1S/C16H20O6/c1-16(2,19)13(17)7-10-12(21-4)8-11(20-3)9-5-6-14(18)22-15(9)10/h5-6,8,13,17,19H,7H2,1-4H3/t13-/m0/s1
SMILES COc1cc(OC)c2ccc(=O)oc2c1C[C@H](O)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya paniculata Ref.
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OrganismMurraya paniculata
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)