Summary

IMPPAT Phytochemical identifier: IMPHY014415

Phytochemical name: niaziminin B

Synonymous chemical names:
niaziminin b

External chemical identifiers:
CID:44559760

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Chemical structure information

SMILES:
CCOC(=S)/C=N/Cc1ccc(cc1)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)OC(=O)C

InChI:
InChI=1S/C19H25NO7S/c1-4-24-15(28)10-20-9-13-5-7-14(8-6-13)27-19-17(23)16(22)18(11(2)25-19)26-12(3)21/h5-8,10-11,16-19,22-23H,4,9H2,1-3H3/b20-10+/t11-,16-,17+,18-,19-/m0/s1

InChIKey:
DRPKGNAZZMOSQF-XKENVVIXSA-N

DeepSMILES:
CCOC=S)/C=N/Ccccccc6))O[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))OC=O)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(OC2CCCCO2)cc1

Scaffold Graph/Node level:
C1CCC(OC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(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-Likeness score: 1.56

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Chemical structure download