input word = C00032530

Metabolite InformationStructural formula
Name Xyloccensin P
Formula C37H42O17
Mw 758.24219992
CAS RN 713500-21-1
C_ID C00032530 ,
InChIKey CKITUUDKMFQONB-SBNZKQKJNA-N
InChICode InChI=1S/C37H42O17/c1-16(38)47-22-13-35-32(7)25(24(27(43)45-9)48-17(2)39)30(5)15-34(32,44)37(51-19(4)41,28(30)49-18(3)40)29-36(35,54-33(8,52-29)53-35)21-12-23(42)50-26(31(21,22)6)20-10-11-46-14-20/h10-12,14,22,24-26,28-29,44H,13,15H2,1-9H3/t22-,24+,25-,26-,28-,29-,30+,31-,32+,33-,34+,35-,36+,37-/m1/s1
SMILES [C@]123[C@@]4([C@@]5([C@]([C@H]6[C@]1(C1=CC(=O)O[C@@H]([C@]1([C@@H](C2)OC(=O)C)C)c1cocc1)O[C@@](O3)(O6)C)([C@@H]([C@]([C@H]4[C@@H](C(=O)OC)OC(=O)C)(C5)C)OC(=O)C)OC(=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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