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CHEBI:225521 - Penipyranicin B

ChEBI IDCHEBI:225521
ChEBI NamePenipyranicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O7
Net Charge0
Average Mass306.270
Monoisotopic Mass306.07395
SMILESCOc1cc(O)c(C(=O)O)c(C2=COC(C(=O)O)=C[C@H]2C)c1
InChIInChI=1S/C15H14O7/c1-7-3-12(14(17)18)22-6-10(7)9-4-8(21-2)5-11(16)13(9)15(19)20/h3-7,16H,1-2H3,(H,17,18)(H,19,20)/t7-/m1/s1
InChIKeyBLBVLBOSKQWCMZ-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (33296194)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penipyranicin B (CHEBI:225521) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
(4R)-5-(2-carboxy-3-hydroxy-5-methoxyphenyl)-4-methyl-4H-pyran-2-carboxylic acid