input word = C00050337

Metabolite InformationStructural formula
Name Cardivin B
(-)-Cardivin B
Formula C24H36O9
Mw 468.23593275
CAS RN 198015-05-3
C_ID C00050337 ,
InChIKey PQWUSRCSCCYNSK-RDQJBGPUNA-N
InChICode InChI=1S/C24H36O9/c1-8-12(4)22(28)31-18-16-14(6)23(29)32-19(16)20(33-21(27)11(2)3)24(7,30)10-15(25)9-13(5)17(18)26/h11-13,15-16,18-20,25,30H,6,8-10H2,1-5,7H3/t12-,13+,15+,16-,18+,19-,20+,24+/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(C)C)OC(=O)C2=C)OC(=O)[C@@H](CC)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