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CHEBI:199032 - Dictyophaeric acid B

ChEBI IDCHEBI:199032
ChEBI NameDictyophaeric acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O9
Net Charge0
Average Mass434.441
Monoisotopic Mass434.15768
SMILESC[C@H]1CCC[C@@H](O)[C@]2(O)C(=O)C[C@H](O)[C@@H]3OC(/C=C/C=C/C=C/C(=O)O)=C(C(=O)O1)[C@@H]32
InChIInChI=1S/C22H26O9/c1-12-7-6-9-15(24)22(29)16(25)11-13(23)20-19(22)18(21(28)30-12)14(31-20)8-4-2-3-5-10-17(26)27/h2-5,8,10,12-13,15,19-20,23-24,29H,6-7,9,11H2,1H3,(H,26,27)/b3-2+,8-4+,10-5+/t12-,13-,15+,19-,20-,22-/m0/s1
InChIKeyOAVFOGVWUAUSDJ-FQYKNUEKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (15332862)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Dictyophaeric acid B (CHEBI:199032) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4E,6E)-7-[(1S,2R,6S,12R,13S,16S)-1,2,13-trihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadec-9-en-10-yl]hepta-2,4,6-trienoic acid
Manual XrefsDatabases
10200469ChemSpider