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CHEBI:202740 - Pinophilin B

ChEBI IDCHEBI:202740
ChEBI NamePinophilin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(/C=C/CO)=CC2=CC(=O)[C@@]1(C)O
InChIInChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-9,15,19,22-24,27H,5,10H2,1-2H3/b4-3+/t15-,19+,21-/m1/s1
InChIKeyKKSKNERURMTALE-XWEVTOJWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (22264170)
ChEBI Ontology
Outgoing Relation(s)
Pinophilin B (CHEBI:202740) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(7S,8S,8aS)-7-hydroxy-3-[(E)-3-hydroxyprop-1-enyl]-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
28530119ChemSpider