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CHEBI:210491 - 7_O_methylpenicitor A

ChEBI IDCHEBI:210491
ChEBI Name7_O_methylpenicitor A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILESCCC[C@H]1Cc2cc3cc(OC)cc(OC)c3c(O)c2C(=O)O1
InChIInChI=1S/C18H20O5/c1-4-5-12-7-11-6-10-8-13(21-2)9-14(22-3)15(10)17(19)16(11)18(20)23-12/h6,8-9,12,19H,4-5,7H2,1-3H3/t12-/m0/s1
InChIKeyNCZGUFKZGWCKMO-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31353509)
ChEBI Ontology
Outgoing Relation(s)
7_O_methylpenicitor A (CHEBI:210491) is a organic heterotricyclic compound (CHEBI:26979)
7_O_methylpenicitor A (CHEBI:210491) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S)-10-hydroxy-7,9-dimethoxy-3-propyl-3,4-dihydrobenzo[g]isochromen-1-one
Manual XrefsDatabases
76826974ChemSpider