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CHEBI:198544 - (S)-6,8-dihydroxy-3-((R)-6-hydroxyhept-1-yl)isochroman-7-carboxylic acid

ChEBI IDCHEBI:198544
ChEBI Name(S)-6,8-dihydroxy-3-((R)-6-hydroxyhept-1-yl)isochroman-7-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESC[C@@H](O)CCCCC[C@H]1Cc2cc(O)c(C(=O)O)c(O)c2CO1
InChIInChI=1S/C17H24O6/c1-10(18)5-3-2-4-6-12-7-11-8-14(19)15(17(21)22)16(20)13(11)9-23-12/h8,10,12,18-20H,2-7,9H2,1H3,(H,21,22)/t10-,12+/m1/s1
InChIKeyZEGJDKBUPYCRTG-PWSUYJOCSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24456578)
ChEBI Ontology
Outgoing Relation(s)
(S)-6,8-dihydroxy-3-((R)-6-hydroxyhept-1-yl)isochroman-7-carboxylic acid (CHEBI:198544) is a benzenes (CHEBI:22712)
(S)-6,8-dihydroxy-3-((R)-6-hydroxyhept-1-yl)isochroman-7-carboxylic acid (CHEBI:198544) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3S)-6,8-dihydroxy-3-[(6R)-6-hydroxyheptyl]-3,4-dihydro-1H-isochromene-7-carboxylic acid
Manual XrefsDatabases
31129557ChemSpider