Summary

IMPPAT Phytochemical identifier: IMPHY009463

Phytochemical name: 6-Gingesulfonic acid

Synonymous chemical names:
6-ginge-sulfonic acid, 6-gingesulfonic acid, gingesulphonic acid, 6-

External chemical identifiers:
CID:126890, ChEBI:175607

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Chemical structure information

SMILES:
CCCCCC(S(=O)(=O)O)CC(=O)CCc1ccc(c(c1)OC)O

InChI:
InChI=1S/C17H26O6S/c1-3-4-5-6-15(24(20,21)22)12-14(18)9-7-13-8-10-16(19)17(11-13)23-2/h8,10-11,15,19H,3-7,9,12H2,1-2H3,(H,20,21,22)

InChIKey:
UGTSZVWDFDIWIG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCS=O)=O)O))CC=O)CCcccccc6)OC)))O

Functional groups:
CC(C)=O, CS(=O)(=O)O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP-Likeness score: 1.353

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Chemical structure download