Summary
SMILES: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)CO)[C@@H]([C@H]([C@@H]1O)O)OInChI: InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1InChIKey: QWIZNVHXZXRPDR-WSCXOGSTSA-N
DeepSMILES: OC[C@H]O[C@H]O[C@H][C@H]O)[C@H]O[C@@]5CO))O[C@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O))))))))CO))))))[C@@H][C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: C1CCC(OC2CCOC2OC2CCCCO2)OC1
Scaffold Graph/Node level: C1CCC(OC2CCOC2OC2CCCCO2)OC1
Scaffold Graph level: C1CCC(CC2CCCC2CC2CCCCC2)CC1
Functional groups: CO; CO[C@H](C)OC; C[C@](C)(OC)O[C@H](C)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway: Carbohydrates
NP Classifier Superclass: Saccharides
NP Classifier Class: Disaccharides|Polysaccharides
Synonymous chemical names:melizitose
External chemical identifiers:CID:92817; ChEMBL:CHEMBL386007; ChEBI:6731; ZINC:ZINC000006920403; FDASRS:T4T25QN29L; SureChEMBL:SCHEMBL131977; MolPort-002-507-408
Chemical structure download