input word = C00048915

Metabolite InformationStructural formula
Name Xylogranatin I
(-)-Xylogranatin I
Formula C27H32O9
Mw 500.20463262
CAS RN 1033090-41-3
C_ID C00048915 ,
InChIKey RNNCWMDVSDTVTM-PPTJYBTDNA-N
InChICode InChI=1S/C27H32O9/c1-14-17(11-21(30)33-5)26(2,3)24(32)16-10-19(35-23(14)16)18-12-22(31)36-25(15-7-9-34-13-15)27(18,4)8-6-20(28)29/h7,9-10,12-14,17,24-25,32H,6,8,11H2,1-5H3,(H,28,29)/t14-,17-,24+,25+,27-/m1/s1
SMILES [C@@H]1(C([C@H](c2c([C@@H]1C)oc(c2)C1=CC(=O)O[C@H]([C@@]1(CCC(=O)O)C)c1cocc1)O)(C)C)CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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OrganismXylocarpus granatum
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165