CHEBI:199032 - Dictyophaeric acid B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dictyophaeric acid B
ChEBI ID CHEBI:199032
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26O9
Net Charge 0
Average Mass 434.441
Monoisotopic Mass 434.15768
InChI InChI=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
InChIKey OAVFOGVWUAUSDJ-FQYKNUEKSA-N
SMILES O=C1O[C@H](CCC[C@H]([C@]2([C@H]3C1=C(O[C@H]3[C@@H](O)CC2=O)/C=C/C=C/C=C/C(=O)O)O)O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
10200469 ChemSpider
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