input word = C00012374

Metabolite InformationStructural formula
Name (+)-Divaricin C
Divaricin C
Formula C25H34O9
Mw 478.22028269
CAS RN 126582-72-7
C_ID C00012374 ,
InChIKey CRHIACJPVPSEGE-UHFFFAOYNA-N
InChICode InChI=1S/C25H34O9/c1-8-13(4)22(27)33-21-19-18(15(6)23(28)32-19)20(31-17(26)9-12(2)3)25(30)14(5)10-16(34-25)11-24(21,7)29/h8-9,14,16,18-21,29-30H,6,10-11H2,1-5,7H3/b13-8+/t14-,16-,18+,19-,20-,21-,24-,25+/m1/s1
SMILES [C@@H]1([C@]2([C@@H]([C@@H]3[C@H]([C@H]([C@](C[C@@H](C1)O2)(C)O)OC(=O)/C(=C/C)/C)OC(=O)C3=C)OC(=O)C=C(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarpesium divaricatum Ref.
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OrganismCarpesium divaricatum
ReferenceBaruah,J.Org.Chem.,47,(1982),137

Maruyama,Phytochem.,29,(1990),547