CHEBI:202050 - Bequinostatin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bequinostatin C
ChEBI ID CHEBI:202050
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H22O8
Net Charge 0
Average Mass 486.476
Monoisotopic Mass 486.13147
InChI InChI=1S/C28H22O8/c1-2-3-4-5-12-8-13-6-7-15-16(20(13)26(33)21(12)28(35)36)11-18-23(25(15)32)27(34)22-17(24(18)31)9-14(29)10-19(22)30/h6-11,29-30,32-33H,2-5H2,1H3,(H,35,36)
InChIKey NJGDHHRUAFIFFQ-UHFFFAOYSA-N
SMILES O=C1C2=C(O)C=3C(=C4C(O)=C(C(CCCCC)=CC4=CC3)C(=O)O)C=C2C(=O)C=5C1=C(O)C=C(O)C5
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Bequinostatin C (CHEBI:202050) is a quinone (CHEBI:36141)
Bequinostatin C (CHEBI:202050) is a tetracenes (CHEBI:51270)
IUPAC Name
1,7,9,11-tetrahydroxy-8,13-dioxo-3-pentylbenzo[a]tetracene-2-carboxylic acid
Manual Xref Database
172051 ChemSpider
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