Summary

IMPPAT Phytochemical identifier: IMPHY006362

Phytochemical name: Ascorbic acid

Synonymous chemical names:
ascorbate, ascorbic acid, ascorbic-acid, c vitamin, l-ascorbic acid, vitamin c

External chemical identifiers:
CID:54670067, ChEMBL:CHEMBL196, ChEBI:29073, ZINC:ZINC000100006770, FDASRS:PQ6CK8PD0R, SureChEMBL:SCHEMBL785, MolPort-001-792-501

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Chemical structure information

SMILES:
OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O

InChI:
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1

InChIKey:
CIWBSHSKHKDKBQ-JLAZNSOCSA-N

DeepSMILES:
OC[C@@H][C@H]OC=O)C=C5O))O)))))O

Functional groups:
CO, O=C1OCC(O)=C1O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 2.263

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Chemical structure download