CHEBI:90188 - laccaic acid B

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ChEBI Name laccaic acid B
ChEBI ID CHEBI:90188
Definition 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
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H16O12
Net Charge 0
Average Mass 496.378
Monoisotopic Mass 496.06418
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
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
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
Application(s): dye

View more via ChEBI Ontology
ChEBI Ontology
Outgoing laccaic acid B (CHEBI:90188) has role animal metabolite (CHEBI:75767)
laccaic acid B (CHEBI:90188) has role dye (CHEBI:37958)
laccaic acid B (CHEBI:90188) is a oxo dicarboxylic acid (CHEBI:36145)
laccaic acid B (CHEBI:90188) is a polyphenol (CHEBI:26195)
laccaic acid B (CHEBI:90188) is a primary alcohol (CHEBI:15734)
laccaic acid B (CHEBI:90188) is a tetrahydroxyanthraquinone (CHEBI:37496)
Incoming LAC dye (CHEBI:90184) has part laccaic acid B (CHEBI:90188)
IUPAC Name
3,5,6,8-tetrahydroxy-7-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acid
Registry Numbers Types Sources
17249-00-2 CAS Registry Number ChemIDplus
2230802 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
9697316 PubMed citation Europe PMC
Last Modified
12 July 2016