CHEBI:222668 - 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:222668
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/c1-9-7-11(20(25)27-3)15(13(8-9)26-2)16-17(22)10-5-4-6-12(21)14(10)18(23)19(16)24/h4-8,21-22H,1-3H3
InChIKey DDOLOMUQRRRBDS-UHFFFAOYSA-N
SMILES O=C1C(=O)C2=C(O)C=CC=C2C(=C1C3=C(OC)C=C(C)C=C3C(=O)OC)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing WS-5995 D (CHEBI:222668) is a benzenes (CHEBI:22712)
WS-5995 D (CHEBI:222668) is a naphthalenes (CHEBI:25477)
WS-5995 D (CHEBI:222668) is a ring assembly (CHEBI:36820)
IUPAC Name
methyl 2-(1,5-dihydroxy-3,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoate