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CHEBI:205239 - F13459

ChEBI IDCHEBI:205239
ChEBI NameF13459
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O11
Net Charge0
Average Mass528.510
Monoisotopic Mass528.16316
SMILESCOc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OC1c3cc(O)cc(O)c3C(=O)OC1(C)O)C(=O)OC2
InChIInChI=1S/C27H28O11/c1-12(5-7-15-22(31)21-17(11-36-25(21)32)13(2)23(15)35-4)6-8-19(30)37-24-16-9-14(28)10-18(29)20(16)26(33)38-27(24,3)34/h5,9-10,24,28-29,31,34H,6-8,11H2,1-4H3/b12-5+
InChIKeyHFLIGULWCMOSDN-LFYBBSHMSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (11513037)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
F13459 (CHEBI:205239) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3,6,8-trihydroxy-3-methyl-1-oxo-4H-isochromen-4-yl) (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)-4-methylhex-4-enoate
Manual XrefsDatabases
8294684ChemSpider