CHEBI:211803 - Naphthalenecarboxylate 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 Naphthalenecarboxylate B
ChEBI ID CHEBI:211803
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H18O10
Net Charge 0
Average Mass 394.332
Monoisotopic Mass 394.09000
InChI InChI=1S/C18H18O10/c1-6-4-10(19)9-5-7(16(23)24)2-3-8(9)14(6)27-18-13(22)11(20)12(21)15(28-18)17(25)26/h2-5,11-13,15,18-22H,1H3,(H,23,24)(H,25,26)/t11-,12-,13+,15-,18+/m0/s1
InChIKey TVFPZHZGPPUOSD-FRTWLMODSA-N
SMILES O=C(O)C1=CC2=C(O)C=C(C)C(=C2C=C1)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]3O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing Naphthalenecarboxylate B (CHEBI:211803) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3S,4S,5R,6S)-6-(6-carboxy-4-hydroxy-2-methylnaphthalen-1-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid