Summary

SMILES: OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@]([C@H]([C@@H]3O)O)(CO)O[C@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O
InChI: 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
InChIKey: LAOVEVDFIVNYLQ-QDQSDLQTSA-N
DeepSMILES: OC[C@H]O[C@H]OC[C@H]O[C@H]OC[C@H]O[C@@][C@H][C@@H]5O))O))CO))O[C@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O)))))))))))[C@@H][C@H][C@H]6O))O))O)))))))[C@@H][C@H][C@H]6O))O))O
Scaffold Graph/Node/Bond level: C1CCC(OCC2CCCC(OCC3CCC(OC4CCCCO4)O3)O2)OC1
Scaffold Graph/Node level: C1CCC(OCC2CCCC(OCC3CCC(OC4CCCCO4)O3)O2)OC1
Scaffold Graph level: C1CCC(CCC2CCCC(CCC3CCC(CC4CCCCC4)C3)C2)CC1
Functional groups: CO; CO[C@H](C)OC; C[C@](C)(OC)O[C@H](C)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic oxygen compounds
ClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway: Carbohydrates
NP Classifier Superclass: Saccharides
NP Classifier Class: Polysaccharides

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Synonymous chemical names:
sesamose

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External chemical identifiers:
CID:441430

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Chemical structure download