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CHEBI:198250 - Dictyopanine B

ChEBI IDCHEBI:198250
ChEBI NameDictyopanine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O6
Net Charge0
Average Mass428.525
Monoisotopic Mass428.21989
SMILESC=C(C=O)C[C@H]1C(=O)C=C2[C@@H](OC(=O)/C=C/C(C)=C/C(C)CC)CC[C@@H](C(=O)O)[C@@]21C
InChIInChI=1S/C25H32O6/c1-6-15(2)11-16(3)7-10-23(28)31-22-9-8-18(24(29)30)25(5)19(12-17(4)14-26)21(27)13-20(22)25/h7,10-11,13-15,18-19,22H,4,6,8-9,12H2,1-3,5H3,(H,29,30)/b10-7+,16-11+/t15?,18-,19-,22-,25+/m0/s1
InChIKeyAFLWRLGQCCNPSX-BCTZGLOJSA-N
Species of MetaboliteComponentSourceComments
Dictyopanus (ncbitaxon:135781) - PubMed (11079807)
ChEBI Ontology
Outgoing Relation(s)
Dictyopanine B (CHEBI:198250) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
(3R,3aS,4R,7S)-7-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]oxy-3-(2-ormylprop-2-enyl)-3a-methyl-2-oxo-4,5,6,7-tetrahydro-3H-indene-4-carboxylic acid
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