input word = C00053903

Metabolite InformationStructural formula
Name Xylogranatin E2
Formula C32H40O9
Mw 568.26723288
CAS RN 1003566-56-0
C_ID C00053903
InChIKey XPLKWAMDQCWRJK-FLVZLIFUSA-N
InChICode InChI=1S/C32H40O9/c1-7-17(2)27(35)41-26-19-14-31(36)20(30(5)21(12-23(33)38-6)29(26,4)16-32(19,30)37)8-10-28(3)22(31)13-24(34)40-25(28)18-9-11-39-15-18/h7,9,11,13,15,19-21,25-26,36-37H,8,10,12,14,16H2,1-6H3/b17-7+/t19-,20+,21-,25-,26+,28+,29+,30?,31+,32-/m0/s1
SMILES O=C1O[C@](C2=COC=C2)([H])[C@]3(C)CC[C@]4([H])C5(C)[C@@H](CC(OC)=O)[C@@](C)(C[C@]65O)[C@H](OC(/C(C)=C/C)=O)[C@]6([H])C[C@]4(O)C3=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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