input word = C00047913

Metabolite InformationStructural formula
Name Granatumin F
(+)-Granatumin F
Formula C33H40O15
Mw 676.23672061
CAS RN 1196685-62-7
C_ID C00047913 ,
InChIKey XXWTYPBCQPFLFB-DKPDFBPBNA-N
InChICode InChI=1S/C33H40O15/c1-14(34)45-19-11-32(41)30(6)23(22(27(39)43-7)46-15(2)35)28(4)13-31(30,40)21(26(28)47-16(3)36)24(38)33(32,42)18-10-20(37)48-25(29(18,19)5)17-8-9-44-12-17/h8-10,12,19,21-26,38,40-42H,11,13H2,1-7H3/t19-,21-,22+,23-,24-,25-,26+,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@H]([C@]3(C2)O)[C@H]1OC(=O)C)O)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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