input word = C00060865

Metabolite InformationStructural formula
Name 9-O-Methylxylogranatin R
Formula C28H34O9
Mw 514.22028269
CAS RN 2237278-07-6
C_ID C00060865
InChIKey XKLXMEAYSRQCMQ-IYYSVLAGSA-N
InChICode InChI=1S/C28H34O9/c1-16-19(12-23(31)35-6)27(2,3)14-18(25(16)33)11-21(29)20-13-24(32)37-26(17-8-10-36-15-17)28(20,4)9-7-22(30)34-5/h8,10,13-16,19,26H,7,9,11-12H2,1-6H3/t16-,19-,26+,28-/m1/s1
SMILES COC(=O)CCC1(C)C(C(=O)CC2=CC(C)(C)C(CC(=O)OC)C(C)C2=O)=CC(=O)OC1c1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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OrganismXylocarpus granatum
Referencehttps://doi.org/10.1038/srep33908