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CHEBI:210998 - Penicisochroman E

ChEBI IDCHEBI:210998
ChEBI NamePenicisochroman E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O3
Net Charge0
Average Mass180.203
Monoisotopic Mass180.07864
SMILESCC1OCc2c(O)cccc2[C@@H]1O
InChIInChI=1S/C10H12O3/c1-6-10(12)7-3-2-4-9(11)8(7)5-13-6/h2-4,6,10-12H,5H2,1H3/t6?,10-/m1/s1
InChIKeyBFAPKXQOLRZYTB-PHUNFMHTSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2010.04.073)
ChEBI Ontology
Outgoing Relation(s)
Penicisochroman E (CHEBI:210998) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(4S)-3-methyl-3,4-dihydro-1H-isochromene-4,8-diol
Manual XrefsDatabases
78437431ChemSpider