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 COC(=O)[C@@H](O)[C@@H]1[C@]2(C)C[C@@]3(O)[C@@](OC(C)=O)([C@@H]2OC(C)=O)[C@@H]2O[C@]4(C)O[C@]5(C[C@@H](OC(C)=O)[C@@]6(C)C(=CC(=O)O[C@@H]6c6ccoc6)[C@]25O4)[C@@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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OrganismXylocarpus granatum
ReferenceCui,Phytochem.,66,(2005),2334