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CHEBI:211803 - Naphthalenecarboxylate B

ChEBI IDCHEBI:211803
ChEBI NameNaphthalenecarboxylate B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O10
Net Charge0
Average Mass394.332
Monoisotopic Mass394.09000
SMILESCc1cc(O)c2cc(C(=O)O)ccc2c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyTVFPZHZGPPUOSD-FRTWLMODSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1177/1934578X19861791)
ChEBI Ontology
Outgoing Relation(s)
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