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CHEBI:167576 - kinanthraquinone B

ChEBI IDCHEBI:167576
ChEBI Namekinanthraquinone B
Stars
DefinitionA monohydroxyanthraquinone that is anthraquinone in which the hydrogen atoms at positions 1, 2, 5 and 6 are replaced hydroxy, 3-methylbut-3-enoic acid, methoxy and methoxy groups, respectively. It is a natural product isolated from Streptomyces sp. SN-593.
Last Modified13 May 2021
SubmitterMartin Larralde
DownloadsMolfile
FormulaC21H18O7
Net Charge0
Average Mass382.368
Monoisotopic Mass382.10525
SMILESCOc1ccc2c(c1OC)C(=O)c1ccc(/C=C(/C)CC(=O)O)c(O)c1C2=O
InChIInChI=1S/C21H18O7/c1-10(9-15(22)23)8-11-4-5-12-16(18(11)24)19(25)13-6-7-14(27-2)21(28-3)17(13)20(12)26/h4-8,24H,9H2,1-3H3,(H,22,23)/b10-8-
InChIKeyUBMNDGOTJSQUMP-NTMALXAHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. SN-593 (ncbitaxon:659352) - PubMed (33590007 )
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
kinanthraquinone B (CHEBI:167576) has role bacterial metabolite (CHEBI:76969)
kinanthraquinone B (CHEBI:167576) is a hydroxy monocarboxylic acid (CHEBI:35868)
kinanthraquinone B (CHEBI:167576) is a monohydroxyanthraquinone (CHEBI:37483)
kinanthraquinone B (CHEBI:167576) is a olefinic compound (CHEBI:78840)
kinanthraquinone B (CHEBI:167576) is a phenols (CHEBI:33853)
Incoming Relation(s)
kinanthraquinone (CHEBI:167575) has functional parent kinanthraquinone B (CHEBI:167576)
IUPAC Name 
(3Z)-4-(1-hydroxy-5,6-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-3-methylbut-3-enoic acid
Citations