Summary

IMPPAT Phytochemical identifier: IMPHY007511

Phytochemical name: Lantanose A

Synonymous chemical names:
lantanose a

External chemical identifiers:
CID:197521

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Chemical structure information

SMILES:
OC[C@H]([C@H]([C@@H]([C@@H](O[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)C=O)O[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C30H52O26/c31-1-7-13(37)17(41)21(45)27(49-7)53-11(5-35)25(55-29-23(47)19(43)15(39)9(3-33)51-29)26(56-30-24(48)20(44)16(40)10(4-34)52-30)12(6-36)54-28-22(46)18(42)14(38)8(2-32)50-28/h5,7-34,36-48H,1-4,6H2/t7-,8-,9-,10-,11+,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-/m1/s1

InChIKey:
ZFGVMMVMFNPHAQ-HMPSZIKNSA-N

DeepSMILES:
OC[C@H][C@H][C@@H][C@@H]O[C@H]O[C@H]CO))[C@@H][C@@H][C@H]6O))O))O))))))C=O)))O[C@H]O[C@H]CO))[C@@H][C@@H][C@H]6O))O))O)))))))O[C@H]O[C@H]CO))[C@@H][C@@H][C@H]6O))O))O)))))))O[C@H]O[C@H]CO))[C@@H][C@@H][C@H]6O))O))O

Functional groups:
CC=O, CO, CO[C@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OCC(OC2CCCCO2)C(COC2CCCCO2)OC2CCCCO2)OC1

Scaffold Graph/Node level:
C1CCC(OCC(OC2CCCCO2)C(COC2CCCCO2)OC2CCCCO2)OC1

Scaffold Graph level:
C1CCC(CCC(CC2CCCCC2)C(CCC2CCCCC2)CC2CCCCC2)CC1

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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

NP-Likeness score: 0.82

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Chemical structure download