input word = C00035864

Metabolite InformationStructural formula
Name Pentandroside C
(+)-Pentandroside C
Formula C38H62O14
Mw 742.41395669
CAS RN 811799-60-7
C_ID C00035864 ,
InChIKey IOPZVHATZOARDL-FBUFDRGANA-N
InChICode InChI=1S/C38H62O14/c1-17(14-39)5-8-23(42)18(2)28-26(12-22-21-7-6-19-11-20(41)9-10-37(19,3)29(21)24(43)13-38(22,28)4)50-35-33(48)34(25(44)16-49-35)52-36-32(47)31(46)30(45)27(15-40)51-36/h11,17-18,21-36,39-40,42-48H,5-10,12-16H2,1-4H3/t17-,18+,21-,22-,23-,24+,25+,26-,27+,28-,29+,30+,31-,32+,33+,34-,35-,36-,37-,38-/m0/s1
SMILES C[C@H](CO)CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O[C@@H]2OC[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]3[C@H](O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus pentandrus Ref.
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