input word = C00060866

Metabolite InformationStructural formula
Name 9-Epixylogranatin A
Formula C34H42O12
Mw 642.26762681
CAS RN 2237974-35-3
C_ID C00060866
InChIKey PERCWOXLOHUPKZ-AKMSOBKFSA-N
InChICode InChI=1S/C34H42O12/c1-9-17(2)30(38)45-28-25-26(18(3)21(31(28,5)6)14-23(36)41-8)46-33(39)12-11-32(7)22(34(33,40)29(25)43-19(4)35)15-24(37)44-27(32)20-10-13-42-16-20/h9-10,13,15-16,21,25,27-29,39-40H,11-12,14H2,1-8H3/b17-9+/t21-,25-,27+,28-,29-,32-,33+,34-/m1/s1
SMILES CC=C(C)C(=O)OC1C2C(=C(C)C(CC(=O)OC)C1(C)C)OC1(O)CCC3(C)C(=CC(=O)OC3c3ccoc3)C1(O)C2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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OrganismXylocarpus granatum
Referencehttps://doi.org/10.1038/srep33908