input word = C00032531

Metabolite InformationStructural formula
Name Xyloccensin Q
Formula C35H40O16
Mw 716.23163523
CAS RN 864656-74-6
C_ID C00032531 ,
InChIKey NBEYFLRUFKQOSG-DHCTXCKKNA-N
InChICode InChI=1S/C35H40O16/c1-15(36)45-20-12-33-30(6)23(22(25(40)43-8)46-16(2)37)28(4)14-32(30,41)34(42,26(28)47-17(3)38)27-35(33,51-31(7,49-27)50-33)19-11-21(39)48-24(29(19,20)5)18-9-10-44-13-18/h9-11,13,20,22-24,26-27,41-42H,12,14H2,1-8H3/t20-,22+,23-,24-,26-,27+,28+,29-,30+,31-,32+,33-,34-,35+/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)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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