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laccaic acid B

Go to external page http://purl.obolibrary.org/obo/CHEBI_90188

A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-hydroxyethyl)-2-hydroxyphenyl group at position 7. A minor component of LAC dye together with laccaic acids A, C and D

Term info

Label

laccaic acid B

Synonyms
  • 3,5,6,8-tetrahydroxy-7-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3,5,6,8-tetrahydroxy-7-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acid [ IUPAC ]

charge

0

formula

C24H16O12

has obo namespace

chebi_ontology

id

CHEBI:90188

inchi

InChI=1S/C24H16O12/c25-4-3-7-1-2-10(26)8(5-7)13-20(30)17-16(22(32)21(13)31)18(28)9-6-11(27)14(23(33)34)15(24(35)36)12(9)19(17)29/h1-2,5-6,25-27,30-32H,3-4H2,(H,33,34)(H,35,36)

inchikey

BVLPXKYBBOURAF-UHFFFAOYSA-N

mass

496.378

monoisotopicmass

496.06418

smiles

C=1(C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C(=O)O)C(C2=C(O)C1O)=O)=O)O)C=4C(=CC=C(C4)CCO)O