input word = C00035862

Metabolite InformationStructural formula
Name Pentandroside A
(+)-Pentandroside A
Formula C38H62O13
Mw 726.41904207
CAS RN 811799-56-1
C_ID C00035862 ,
InChIKey JFQBYJFVCCPBCG-OJJZMXGCNA-N
InChICode InChI=1S/C38H62O13/c1-18(15-39)5-8-25(42)19(2)29-27(14-24-22-7-6-20-13-21(41)9-11-37(20,3)23(22)10-12-38(24,29)4)49-35-33(47)34(26(43)17-48-35)51-36-32(46)31(45)30(44)28(16-40)50-36/h13,18-19,22-36,39-40,42-47H,5-12,14-17H2,1-4H3/t18-,19+,22+,23-,24-,25-,26+,27-,28+,29-,30+,31-,32+,33+,34-,35-,36-,37-,38-/m0/s1
SMILES C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H]([C@H](C2)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)[C@H](C)[C@@H](O)CC[C@H](C)CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus pentandrus Ref.
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