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CHEBI:204570 - Pinillidine

ChEBI IDCHEBI:204570
ChEBI NamePinillidine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H22O10
Net Charge0
Average Mass518.474
Monoisotopic Mass518.12130
SMILESCC(c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O
InChIInChI=1S/C28H22O10/c1-14(25-23(33)12-17(37-27(25)35)6-2-15-4-8-19(29)21(31)10-15)26-24(34)13-18(38-28(26)36)7-3-16-5-9-20(30)22(32)11-16/h2-14,29-34H,1H3/b6-2+,7-3+
InChIKeyAVRSGNZNZIKDCF-YPCIICBESA-N
Species of MetaboliteComponentSourceComments
Pholiota squarrosa (ncbitaxon:75321) - DOI (10.1002/ejoc.200700090)
ChEBI Ontology
Outgoing Relation(s)
Pinillidine (CHEBI:204570) is a catechols (CHEBI:33566)
IUPAC Name 
6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-[1-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]ethyl]-4-hydroxypyran-2-one
Manual XrefsDatabases
30823716ChemSpider