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CHEBI:207728 - Pinophilin G

ChEBI IDCHEBI:207728
ChEBI NamePinophilin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O9
Net Charge0
Average Mass416.382
Monoisotopic Mass416.11073
SMILESCc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(/C=C/C(=O)O)=CC2=CC(=O)[C@@]1(C)O
InChIInChI=1S/C21H20O9/c1-10-5-12(22)8-15(23)18(10)20(27)30-19-14-9-29-13(3-4-17(25)26)6-11(14)7-16(24)21(19,2)28/h3-8,14,19,22-23,28H,9H2,1-2H3,(H,25,26)/b4-3+/t14-,19+,21-/m1/s1
InChIKeyZDFHVFVPRFCIRZ-VTPDZOMWSA-N
Species of MetaboliteComponentSourceComments
Talaromyces pinophilus (ncbitaxon:128442) - DOI (10.7503/cjcu20170304)
ChEBI Ontology
Outgoing Relation(s)
Pinophilin G (CHEBI:207728) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
(E)-3-[(7S,8S,8aS)-8-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-3-yl]prop-2-enoic acid
Manual XrefsDatabases
64063252ChemSpider