input word = C00051204

Metabolite InformationStructural formula
Name Lappaol E
Formula C30H34O10
Mw 554.21519731
CAS RN 64855-02-3
C_ID C00051204
InChIKey ASYBYLYCBSRGRZ-UHFFFAOYNA-N
InChICode InChI=1S/C30H34O10/c1-36-25-12-18(4-7-22(25)32)11-21-20(16-39-30(21)35)10-17-5-9-24(27(13-17)38-3)40-28(15-31)29(34)19-6-8-23(33)26(14-19)37-2/h4-9,12-14,20-21,28-29,31-34H,10-11,15-16H2,1-3H3
SMILES COc1cc(CC2C(=O)OCC2Cc2ccc(OC(CO)C(O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctium lappa Ref.
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OrganismArctium lappa
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)