input word = C00061180

Metabolite InformationStructural formula
Name Xylocarpin
Formula C29H36O9
Mw 528.23593275
CAS RN 26808-27-5
C_ID C00061180
InChIKey OEAILFQKPDJEPG-KQOVNBMPSA-N
InChICode InChI=1S/C29H36O9/c1-14(30)36-24-21-22(33)28(5,17(26(24,2)3)11-19(31)34-6)16-7-9-27(4)18(29(16)25(21)38-29)12-20(32)37-23(27)15-8-10-35-13-15/h8,10,13,16-18,21,23-25H,7,9,11-12H2,1-6H3/t16-,17+,18-,21-,23+,24-,25-,27-,28-,29-/m1/s1
SMILES COC(=O)CC1C(C)(C)C(OC(C)=O)C2C(=O)C1(C)C1CCC3(C)C(c4ccoc4)OC(=O)CC3C13OC23
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