input word = C00059489

Metabolite InformationStructural formula
Name 6-Acetylmexicanolide
Formula C29H34O9
Mw 526.22028269
CAS RN 1248571-27-8
C_ID C00059489
InChIKey GXYWZNJCGCCUAH-BNQBPKOBSA-N
InChICode InChI=1S/C29H34O9/c1-14(30)37-21(26(34)35-6)22-27(2,3)23(32)17-11-16-18(29(22,5)24(17)33)7-9-28(4)19(16)12-20(31)38-25(28)15-8-10-36-13-15/h8,10,13,17-18,21-22,25H,7,9,11-12H2,1-6H3/t17-,18-,21-,22-,25-,28+,29+/m0/s1
SMILES COC(=O)C(OC(C)=O)C1C(C)(C)C(=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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OrganismXylocarpus granatum
Referencehttps://doi.org/10.1021/np100395w