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CHEBI:169739 - 1-Hydroxypyrene glucuronide

ChEBI IDCHEBI:169739
ChEBI Name1-Hydroxypyrene glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O7
Net Charge0
Average Mass394.379
Monoisotopic Mass394.10525
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccc3ccc4cccc5ccc2c3c45)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1
InChIKeyBUCREAQPYGLZLI-SXFAUFNYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1-Hydroxypyrene glucuronide (CHEBI:169739) is a pyrenes (CHEBI:59659)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-pyren-1-yloxyoxane-2-carboxylic acid
Manual XrefsDatabases
30778475ChemSpider
HMDB0059759HMDB