input word = C00001148

Metabolite InformationStructural formula
Name Sesamose
Formula C24H42O21
Mw 666.22185841
CAS RN 58985-23-2
C_ID C00001148 ,
InChIKey LAOVEVDFIVNYLQ-OZXYEXLMNA-N
InChICode InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-12(30)16(34)18(36)22(43-8)40-4-9-13(31)20(38)24(5-27,44-9)45-23-19(37)15(33)11(29)7(2-26)42-23/h6-23,25-38H,1-5H2/t6-,7+,8-,9-,10+,11-,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22+,23-,24+/m1/s1
SMILES OCC1O[C@H](O[C@]2(CO)O[C@H](CO[C@H]3OC(CO[C@H]4OC(CO)[C@H](O)[C@H](O)C4O)[C@H](O)[C@H](O)C3O)[C@H](O)C2O)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePedaliaceaeSesamum indicum Ref.
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