input word = C00037734

Metabolite InformationStructural formula
Name Rivaloside A
(+)-Rivaloside A
Formula C44H68O16
Mw 852.45073613
CAS RN 284045-93-8
C_ID C00037734 ,
InChIKey JFQWKAYZNIEBPI-HQDAJPAWNA-N
InChICode InChI=1S/C44H68O16/c1-20(46)57-22-17-41(6)25(40(4,5)34(22)53)11-12-43(8)26(41)10-9-21-27-35(54)39(2,3)13-15-44(27,16-14-42(21,43)7)38(55)60-37-33(52)31(50)29(48)24(59-37)19-56-36-32(51)30(49)28(47)23(18-45)58-36/h9,22-34,36-37,45,47-53H,10-19H2,1-8H3/t22-,23-,24-,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,36-,37+,41+,42-,43-,44+/m1/s1
SMILES CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5C(=O)C(C)(C)CC[C@]5(C(=O)O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGalium rivale Ref.
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