input word = C00012375

Metabolite InformationStructural formula
Name Divaricin B
Formula C25H34O9
Mw 478.22028269
CAS RN 79721-99-6
C_ID C00012375 ,
InChIKey MZTSABVSBJJYCE-QFLRHLPBNA-N
InChICode InChI=1S/C25H34O9/c1-8-12(3)21(26)32-19-17-15(6)23(28)31-18(17)20(33-22(27)13(4)9-2)24(7,29)11-16-10-14(5)25(19,30)34-16/h8-9,14,16-20,29-30H,6,10-11H2,1-5,7H3/b12-8-,13-9-/t14-,16+,17-,18+,19-,20-,24+,25-/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=CC)[C@@]1(O)O[C@H](C[C@@H]1C)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.
PlantaeAsteraceaeInula cappa Ref.
PlantaeAsteraceaeInula eupatorioides Ref.
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