input word = C00003294

Metabolite InformationStructural formula
Name Gradolide
Formula C25H34O7
Mw 446.23045344
CAS RN 68852-48-2
C_ID C00003294 ,
InChIKey BCRODGCGQKENCQ-DYCKWFMNNA-N
InChICode InChI=1S/C25H34O7/c1-8-13(3)21(26)30-17-12-24(6,29)16-11-10-15(5)18(16)20-19(17)25(7,23(28)31-20)32-22(27)14(4)9-2/h8-10,16-20,29H,11-12H2,1-7H3/b13-8-,14-9-/t16-,17-,18+,19+,20-,24-,25-/m0/s1
SMILES C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=CC)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeLaserpitium siler Ref.
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