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CHEBI:209107 - (1S,3S)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)isochroman-7-carboxylic acid

ChEBI IDCHEBI:209107
ChEBI Name(1S,3S)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)isochroman-7-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O7
Net Charge0
Average Mass340.372
Monoisotopic Mass340.15220
SMILESO=C(O)c1c(O)cc2c(c1O)[C@@H](O)O[C@@H](CCCCCCCO)C2
InChIInChI=1S/C17H24O7/c18-7-5-3-1-2-4-6-11-8-10-9-12(19)14(16(21)22)15(20)13(10)17(23)24-11/h9,11,17-20,23H,1-8H2,(H,21,22)/t11-,17-/m0/s1
InChIKeyXYOMNNRURKEWJB-GTNSWQLSSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24456578)
ChEBI Ontology
Outgoing Relation(s)
(1S,3S)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)isochroman-7-carboxylic acid (CHEBI:209107) is a benzenes (CHEBI:22712)
(1S,3S)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)isochroman-7-carboxylic acid (CHEBI:209107) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1S,3S)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid
Manual XrefsDatabases
30900744ChemSpider