CHEBI:225092 - WS-5995-D

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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-D
ChEBI ID CHEBI:225092
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H16O7
Net Charge 0
Average Mass 368.341
Monoisotopic Mass 368.08960
InChI InChI=1S/C20H16O7/c1-3-9-7-11(20(26)27-2)14(13(22)8-9)16-17(23)10-5-4-6-12(21)15(10)18(24)19(16)25/h4-8,21-23H,3H2,1-2H3
InChIKey KIEWCXVILSZMJI-UHFFFAOYSA-N
SMILES O=C1C(=O)C2=C(O)C=CC=C2C(=C1C3=C(O)C=C(CC)C=C3C(=O)OC)O
Metabolite of Species Details
Micromonospora (NCBI:txid1873) See: PubMed
ChEBI Ontology
Outgoing WS-5995-D (CHEBI:225092) is a benzenes (CHEBI:22712)
WS-5995-D (CHEBI:225092) is a naphthalenes (CHEBI:25477)
WS-5995-D (CHEBI:225092) is a ring assembly (CHEBI:36820)
IUPAC Name
methyl 2-(1,5-dihydroxy-3,4-dioxonaphthalen-2-yl)-5-ethyl-3-hydroxybenzoate