CHEBI:223746 - WS-5995 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 WS-5995 B
ChEBI ID CHEBI:223746
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H14O6
Net Charge 0
Average Mass 338.315
Monoisotopic Mass 338.07904
InChI InChI=1S/C19H14O6/c1-9-6-12(19(23)24)16(15(7-9)25-2)11-8-14(21)17-10(18(11)22)4-3-5-13(17)20/h3-8,20H,1-2H3,(H,23,24)
InChIKey SFCJKMQKLHNLCX-UHFFFAOYSA-N
SMILES O=C1C(C2=C(OC)C=C(C)C=C2C(=O)O)=CC(=O)C3=C1C=CC=C3O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing WS-5995 B (CHEBI:223746) is a benzenes (CHEBI:22712)
WS-5995 B (CHEBI:223746) is a naphthalenes (CHEBI:25477)
WS-5995 B (CHEBI:223746) is a ring assembly (CHEBI:36820)
IUPAC Name
2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid
Manual Xref Database
137717 ChemSpider
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