input word = C00048921

Metabolite InformationStructural formula
Name Xylogranatin O
(-)-Xylogranatin O
Formula C32H38O10
Mw 582.24649744
CAS RN 1033090-47-9
C_ID C00048921 ,
InChIKey AJNQUIUDKQWUQR-BKGHVTODNA-N
InChICode InChI=1S/C32H38O10/c1-8-17(2)30(37)42-29-20-13-23(40-27(20)18(3)21(31(29,4)5)14-25(35)38-7)22-15-26(36)41-28(19-10-12-39-16-19)32(22,6)11-9-24(33)34/h8,10,12-13,15-16,18,21,28-29H,9,11,14H2,1-7H3,(H,33,34)/b17-8+/t18-,21-,28+,29+,32-/m1/s1
SMILES C/C=C(C)C(=O)O[C@H]1c2cc(C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC(=O)O)oc2[C@H](C)[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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