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CHEBI:215542 - Dictyophaeric acid A

ChEBI IDCHEBI:215542
ChEBI NameDictyophaeric acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O8
Net Charge0
Average Mass416.426
Monoisotopic Mass416.14712
SMILESC[C@H]1CCC[C@@H](O)[C@]2(O)C(=O)C=C[C@@H]3OC(/C=C/C=C/C=C/C(=O)O)=C(C(=O)O1)[C@@H]32
InChIInChI=1S/C22H24O8/c1-13-7-6-9-16(23)22(28)17(24)12-11-15-20(22)19(21(27)29-13)14(30-15)8-4-2-3-5-10-18(25)26/h2-5,8,10-13,15-16,20,23,28H,6-7,9H2,1H3,(H,25,26)/b3-2+,8-4+,10-5+/t13-,15-,16+,20+,22-/m0/s1
InChIKeyJKARFACNOWLYIZ-LMBUFRTKSA-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 A (CHEBI:215542) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4E,6E)-7-[(1S,2R,6S,12S,16S)-1,2-dihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadeca-9,13-dien-10-yl]hepta-2,4,6-trienoic acid
Manual XrefsDatabases
10200468ChemSpider