input word = C00051023

Metabolite InformationStructural formula
Name Japonicin B
Formula C33H42O8
Mw 566.28796832
CAS RN 115589-77-0
C_ID C00051023
InChIKey SYFIXLCCYKCHDT-UHFFFAOYNA-N
InChICode InChI=1S/C33H42O8/c1-16(2)11-10-13-33(9)14-12-19-26(36)20(27(37)22(29(19)41-33)24(34)17(3)4)15-21-28(38)23(25(35)18(5)6)31(40)32(7,8)30(21)39/h11-12,14,17-18,36-37,39-40H,10,13,15H2,1-9H3
SMILES CC(C)=CCCC1(C)C=Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C3=O)c(O)c(C(=O)C(C)C)c2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum japonicum Ref.
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OrganismHypericum japonicum
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)