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=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=CC)C(=O)[C@@H](C)C[C@H](O)C[C@](C)(O)[C@H]2OC(=O)C(C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarpesium divaricatum Ref.
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