input word = C00047914

Metabolite InformationStructural formula
Name Granatumin G
(+)-Granatumin G
Formula C33H40O16
Mw 692.23163523
CAS RN 1196685-63-8
C_ID C00047914 ,
InChIKey XNXRDWMIDOTUNH-BWGJCSHANA-N
InChICode InChI=1S/C33H40O16/c1-14(34)46-19-11-30(40)29(6)22(21(24(38)44-7)47-15(2)35)27(4)13-31(29,41)33(43,26(27)48-16(3)36)25(39)32(30,42)18-10-20(37)49-23(28(18,19)5)17-8-9-45-12-17/h8-10,12,19,21-23,25-26,39-43H,11,13H2,1-7H3/t19-,21+,22-,23-,25+,26-,27+,28-,29-,30-,31+,32+,33+/m0/s1
SMILES [C@]12([C@H]([C@H](C(=O)OC)OC(=O)C)[C@]3([C@@]4([C@@](C5=CC(=O)O[C@H]([C@@]5([C@H](C4)OC(=O)C)C)c4ccoc4)([C@H]([C@]([C@]3(C2)O)([C@H]1OC(=O)C)O)O)O)O)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