input word = C00047910

Metabolite InformationStructural formula
Name Granatumin C
(+)-Granatumin C
Formula C32H38O9
Mw 566.25158281
CAS RN 1196685-59-2
C_ID C00047910 ,
InChIKey XSNDLOKSFXICBP-HVNNUXENNA-N
InChICode InChI=1S/C32H38O9/c1-8-16(2)28(36)40-26-23-24(35)31(6,19(29(26,3)4)13-21(33)37-7)18-9-11-30(5)20(32(18)27(23)41-32)14-22(34)39-25(30)17-10-12-38-15-17/h8,10,12,14-15,18-19,23,25-27H,9,11,13H2,1-7H3/b16-8+/t18-,19+,23-,25+,26-,27-,30-,31-,32-/m1/s1
SMILES C/C=C(C)C(=O)O[C@@H]1[C@H]2C(=O)[C@](C)([C@H]3CC[C@]4(C)C(=CC(=O)O[C@H]4c4ccoc4)[C@]34O[C@H]24)[C@@H](CC(=O)OC)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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OrganismXylocarpus granatum
ReferenceLi,J.Nat.Prod.,72,(2009),2110