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CHEBI:213773 - Penisochroman B

ChEBI IDCHEBI:213773
ChEBI NamePenisochroman B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O7
Net Charge0
Average Mass326.345
Monoisotopic Mass326.13655
SMILESCO[C@H]1O[C@H](CCCCCO)Cc2cc(O)c(C(=O)O)c(O)c21
InChIInChI=1S/C16H22O7/c1-22-16-12-9(7-10(23-16)5-3-2-4-6-17)8-11(18)13(14(12)19)15(20)21/h8,10,16-19H,2-7H2,1H3,(H,20,21)/t10-,16+/m1/s1
InChIKeyUNKFONNXVNFOSH-HWPZZCPQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32114035)
ChEBI Ontology
Outgoing Relation(s)
Penisochroman B (CHEBI:213773) is a benzenes (CHEBI:22712)
Penisochroman B (CHEBI:213773) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1S,3R)-6,8-dihydroxy-3-(5-hydroxypentyl)-1-methoxy-3,4-dihydro-1H-isochromene-7-carboxylic acid