U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H6O5
Molecular Weight 182.1302
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STIPITATIC ACID

SMILES

OC(=O)C1=CC(O)=CC(=O)C(O)=C1

InChI

InChIKey=ANEBWDNUQVPSJT-UHFFFAOYSA-N
InChI=1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,9H,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Approval Year

Name Type Language
STIPITATIC ACID
Common Name English
3,6-DIHYDROXY-5-OXO-1,3,6-CYCLOHEPTATRIENE-1-CARBOXYLIC ACID
Systematic Name English
4,6-DIHYDROXY-3-OXOCYCLOHEPTA-1,4,6-TRIENE-1-CARBOXYLIC ACID
Systematic Name English
1,3,6-CYCLOHEPTATRIENE-1-CARBOXYLIC ACID, 3,6-DIHYDROXY-5-OXO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80891817
Created by admin on Sat Dec 16 06:40:53 GMT 2023 , Edited by admin on Sat Dec 16 06:40:53 GMT 2023
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CAS
4440-39-5
Created by admin on Sat Dec 16 06:40:53 GMT 2023 , Edited by admin on Sat Dec 16 06:40:53 GMT 2023
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CHEBI
15957
Created by admin on Sat Dec 16 06:40:53 GMT 2023 , Edited by admin on Sat Dec 16 06:40:53 GMT 2023
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FDA UNII
35DNB4NP54
Created by admin on Sat Dec 16 06:40:53 GMT 2023 , Edited by admin on Sat Dec 16 06:40:53 GMT 2023
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WIKIPEDIA
Stipitatic acid
Created by admin on Sat Dec 16 06:40:53 GMT 2023 , Edited by admin on Sat Dec 16 06:40:53 GMT 2023
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