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 COC(=O)[C@@H](OC(C)=O)C1[C@@]2(C)[C@@]3(O)C[C@]1(C)[C@@H](OC(C)=O)[C@@]3(O)[C@@H]1O[C@]3(C)O[C@]24C[C@@H](OC(C)=O)[C@@]2(C)C(=CC(=O)O[C@@H]2c2ccoc2)[C@]14O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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OrganismXylocarpus granatum
ReferenceWu,Chem.Pharm.Bull.,54,(2006),1582