input word = C00012373

Metabolite InformationStructural formula
Name (+)-Divaricin A
Divaricin A
Formula C25H36O9
Mw 480.23593275
CAS RN 126616-75-9
C_ID C00012373 ,
InChIKey BNEWOCWLMBPTLU-UHFFFAOYNA-N
InChICode InChI=1S/C25H36O9/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/h8,12,14,16,18-21,29-30H,6,9-11H2,1-5,7H3/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)CC(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula eupatorioides Ref.
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OrganismInula eupatorioides
ReferenceBaruah,J.Org.Chem.,47,(1982),137

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