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kermesic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_90183

A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by methyl and carboxy groups at positions 1 and 2 respectively. It is a natural dye isolated from the insect species Kermes ilices.

Term info

Label

kermesic acid

Synonyms
  • 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid [ IUPAC ]

charge

0

formula

C16H10O8

has obo namespace

chebi_ontology

has related synonym

C.I. 75460, natural red 3, C.I. Natural Red 3, kermes, 1-Methyl-2-carboxy-3,5,6,8-tetrahydroxyanthraquinone

id

CHEBI:90183

inchi

InChI=1S/C16H10O8/c1-4-9-5(2-6(17)10(4)16(23)24)13(20)12-11(15(9)22)7(18)3-8(19)14(12)21/h2-3,17-19,21H,1H3,(H,23,24)

inchikey

CXORMDKZEUMQHX-UHFFFAOYSA-N

mass

330.246

monoisotopicmass

330.03757

smiles

C=1C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C)C(C2=C(O)C1O)=O)=O)O