input word = C00043554

Metabolite InformationStructural formula
Name Gynoside B
(+)-Gynoside B
Formula C42H72O14
Mw 800.49220701
CAS RN 750635-75-7
C_ID C00043554 ,
InChIKey VBWLFPXNVMBQCR-SYKBMIOKNA-N
InChICode InChI=1S/C42H72O14/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8)16-12-27(56-42)38(3,4)51)39(24,5)13-11-26(37)54-36-34(32(49)30(47)23(19-44)53-36)55-35-33(50)31(48)29(46)22(18-43)52-35/h20-36,43-51H,9-19H2,1-8H3/t20-,21+,22+,23+,24-,25+,26-,27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,39-,40+,41+,42-/m0/s1
SMILES CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeGynostemma pentaphyllum Ref.
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