input word = C00050336

Metabolite InformationStructural formula
Name Cardivin A
(-)-Cardivin A
Formula C25H36O9
Mw 480.23593275
CAS RN 198015-04-2
C_ID C00050336 ,
InChIKey NAOJFCUVTXMIRE-LJSHYMFANA-N
InChICode InChI=1S/C25H36O9/c1-8-12(3)22(28)32-19-17-15(6)24(30)33-20(17)21(34-23(29)13(4)9-2)25(7,31)11-16(26)10-14(5)18(19)27/h8,13-14,16-17,19-21,26,31H,6,9-11H2,1-5,7H3/b12-8-/t13-,14+,16+,17-,19+,20-,21+,25+/m1/s1
SMILES [C@@H]1(C[C@@H](C(=O)[C@H]([C@@H]2[C@H]([C@@H]([C@@](C1)(C)O)OC(=O)[C@H](C)CC)OC(=O)C2=C)OC(=O)/C(=C\C)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarpesium divaricatum Ref.
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OrganismCarpesium divaricatum
ReferenceKim,J.Nat.Prod.,60,(1997),1199