input word = C00035865

Metabolite InformationStructural formula
Name Pentandroside D
(+)-Pentandroside D
Formula C39H64O13
Mw 740.43469213
CAS RN 811799-62-9
C_ID C00035865 ,
InChIKey RQMAFIGPECAUTA-OBEAXODNNA-N
InChICode InChI=1S/C39H64O13/c1-18(2)7-6-8-19(3)29-25(14-24-22-10-9-20-13-21(42)11-12-38(20,4)23(22)15-28(43)39(24,29)5)49-37-34(48)35(31(45)27(17-41)51-37)52-36-33(47)32(46)30(44)26(16-40)50-36/h13,18-19,22-37,40-41,43-48H,6-12,14-17H2,1-5H3/t19-,22-,23+,24+,25+,26-,27-,28+,29+,30-,31-,32+,33-,34-,35+,36+,37-,38+,39-/m1/s1
SMILES CC(C)CCC[C@@H](C)[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus pentandrus Ref.
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