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

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ChEBI Name (S)-6,8-dihydroxy-3-((R)-6-hydroxyhept-1-yl)isochroman-7-carboxylic acid
ChEBI ID CHEBI:198544
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H24O6
Net Charge 0
Average Mass 324.373
Monoisotopic Mass 324.15729
InChI InChI=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
InChIKey ZEGJDKBUPYCRTG-PWSUYJOCSA-N
SMILES O=C(O)C1=C(O)C2=C(C[C@H](CCCCC[C@H](O)C)OC2)C=C1O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing (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 Xref Database
31129557 ChemSpider
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