input word = C00058818

Metabolite InformationStructural formula
Name (+)-Sesaminol triglucoside
Formula C38H48O22
Mw 856.26372322
CAS RN 157469-83-5
C_ID C00058818
InChIKey IJZGFTCXUSMUHI-CMBLSTHZSA-N
InChICode InChI=1S/C38H48O22/c39-6-22-25(41)28(44)31(47)36(57-22)51-10-24-27(43)30(46)35(60-37-32(48)29(45)26(42)23(7-40)58-37)38(59-24)56-18-5-21-20(54-12-55-21)4-14(18)34-16-9-49-33(15(16)8-50-34)13-1-2-17-19(3-13)53-11-52-17/h1-5,15-16,22-48H,6-12H2/t15-,16-,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38+/m0/s1
SMILES O[C@H]([C@@H](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)O[C@H]2OC3=CC(OCO4)=C4C=C3[C@]5([H])[C@](CO[C@]6([H])C7=CC(OCO8)=C8C=C7)([H])[C@]6([H])CO5)[C@H](O)[C@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePedaliaceaeSesamum indicum Ref.
PlantaePedaliaceaeSesamum radiatum Ref.
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