CHEBI:200697 - Paeciloquinone B

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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 Paeciloquinone B
ChEBI ID CHEBI:200697
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H16O9
Net Charge 0
Average Mass 400.339
Monoisotopic Mass 400.07943
InChI InChI=1S/C20H16O9/c1-7(21)2-3-9(20(28)29)14-13(24)6-11-16(18(14)26)19(27)15-10(17(11)25)4-8(22)5-12(15)23/h4-6,9,22-24,26H,2-3H2,1H3,(H,28,29)/t9-/m1/s1
InChIKey HTBJCSXYMPBHJQ-SECBINFHSA-N
SMILES O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@H](C(=O)O)CCC(=O)C
Metabolite of Species Details
Paecilomyces (NCBI:txid33202) See: PubMed
ChEBI Ontology
Outgoing Paeciloquinone B (CHEBI:200697) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexanoic acid
Manual Xref Database
8606519 ChemSpider
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