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CHEBI:198690 - (S)-6,8-dihydroxy-3-(7-hydroxyhept-1-yl)isochroman-7-carboxylic acid

ChEBI IDCHEBI:198690
ChEBI Name(S)-6,8-dihydroxy-3-(7-hydroxyhept-1-yl)isochroman-7-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESO=C(O)c1c(O)cc2c(c1O)CO[C@@H](CCCCCCCO)C2
InChIInChI=1S/C17H24O6/c18-7-5-3-1-2-4-6-12-8-11-9-14(19)15(17(21)22)16(20)13(11)10-23-12/h9,12,18-20H,1-8,10H2,(H,21,22)/t12-/m0/s1
InChIKeyLAKJUFWBIQLBFF-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24456578)
ChEBI Ontology
Outgoing Relation(s)
(S)-6,8-dihydroxy-3-(7-hydroxyhept-1-yl)isochroman-7-carboxylic acid (CHEBI:198690) is a benzenes (CHEBI:22712)
(S)-6,8-dihydroxy-3-(7-hydroxyhept-1-yl)isochroman-7-carboxylic acid (CHEBI:198690) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3S)-6,8-dihydroxy-3-(7-hydroxyheptyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid
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31129559ChemSpider