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@H]12[C@]3([C@@H]([C@@]4([C@H](C([C@@H]([C@H]1C4=O)OC(=O)/C(=C/C)/C)(C)C)CC(=O)OC)C)CC[C@@]1(C3=CC(=O)O[C@H]1c1cocc1)C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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