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CHEBI:213779 - Penisochroman A

ChEBI IDCHEBI:213779
ChEBI NamePenisochroman A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O6
Net Charge0
Average Mass310.346
Monoisotopic Mass310.14164
SMILESCCCCC[C@@H]1Cc2cc(O)c(C(=O)O)c(O)c2[C@@H](OC)O1
InChIInChI=1S/C16H22O6/c1-3-4-5-6-10-7-9-8-11(17)13(15(19)20)14(18)12(9)16(21-2)22-10/h8,10,16-18H,3-7H2,1-2H3,(H,19,20)/t10-,16+/m1/s1
InChIKeyPVRCOJVDPSNDFB-HWPZZCPQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32114035)
ChEBI Ontology
Outgoing Relation(s)
Penisochroman A (CHEBI:213779) is a benzenes (CHEBI:22712)
Penisochroman A (CHEBI:213779) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1S,3R)-6,8-dihydroxy-1-methoxy-3-pentyl-3,4-dihydro-1H-isochromene-7-carboxylic acid