input word = C00051024

Metabolite InformationStructural formula
Name Japonicin D
Formula C36H44O12
Mw 668.28327687
CAS RN 115538-77-7
C_ID C00051024
InChIKey IGABZFRXHFBVJP-UHFFFAOYSA-N
InChICode InChI=1S/C36H44O12/c1-13(2)23(37)20-27(41)16(11-18-29(43)21(24(38)14(3)4)33(47)35(7,8)31(18)45)26(40)17(28(20)42)12-19-30(44)22(25(39)15(5)6)34(48)36(9,10)32(19)46/h13-15,40-42,45-48H,11-12H2,1-10H3
SMILES CC(C)C(=O)C1=C(O)C(C)(C)C(O)=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)c2O)C1=O
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)