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CHEBI:227953 - (1S,3S)-1,6,8-trihydroxy-3-((R)-6-hydroxyhept-1-yl)isochroman-7-carboxylic acid

ChEBI IDCHEBI:227953
ChEBI Name(1S,3S)-1,6,8-trihydroxy-3-((R)-6-hydroxyhept-1-yl)isochroman-7-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O7
Net Charge0
Average Mass340.372
Monoisotopic Mass340.15220
SMILESC[C@@H](O)CCCCC[C@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@@H](O)O1
InChIInChI=1S/C17H24O7/c1-9(18)5-3-2-4-6-11-7-10-8-12(19)14(16(21)22)15(20)13(10)17(23)24-11/h8-9,11,17-20,23H,2-7H2,1H3,(H,21,22)/t9-,11+,17+/m1/s1
InChIKeyYULTUTUKMKNZHP-NVTQBHAOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24456578)
ChEBI Ontology
Outgoing Relation(s)
(1S,3S)-1,6,8-trihydroxy-3-((R)-6-hydroxyhept-1-yl)isochroman-7-carboxylic acid (CHEBI:227953) is a benzenes (CHEBI:22712)
(1S,3S)-1,6,8-trihydroxy-3-((R)-6-hydroxyhept-1-yl)isochroman-7-carboxylic acid (CHEBI:227953) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1S,3S)-1,6,8-trihydroxy-3-[(6R)-6-hydroxyheptyl]-3,4-dihydro-1H-isochromene-7-carboxylic acid
Manual XrefsDatabases
31129560ChemSpider