input word = C00035431

Metabolite InformationStructural formula
Name Xyloccensin S
(+)-Xyloccensin S
Formula C35H40O16
Mw 716.23163523
CAS RN 864656-76-8
C_ID C00035431 ,
InChIKey OYXNCSDIMIKPHP-WAHHNWEDNA-N
InChICode InChI=1S/C35H40O16/c1-15(36)45-20-12-33-30(6)23(22(40)25(41)43-8)28(4)14-32(30,42)35(48-17(3)38,26(28)46-16(2)37)27-34(33,51-31(7,49-27)50-33)19-11-21(39)47-24(29(19,20)5)18-9-10-44-13-18/h9-11,13,20,22-24,26-27,40,42H,12,14H2,1-8H3/t20-,22+,23-,24-,26-,27-,28+,29-,30+,31-,32+,33-,34+,35-/m1/s1
SMILES [C@@]12([C@@]3([C@]([C@H]4[C@]56[C@]1(C[C@H]([C@]1(C5=CC(=O)O[C@@H]1c1cocc1)C)OC(=O)C)O[C@](O6)(O4)C)([C@@H]([C@]([C@H]2[C@@H](C(=O)OC)O)(C3)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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