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CHEBI:213184 - Dictyopanine C

ChEBI IDCHEBI:213184
ChEBI NameDictyopanine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O6
Net Charge0
Average Mass454.563
Monoisotopic Mass454.23554
SMILESC=C(C=O)C[C@H]1C(=O)C=C2[C@@H](OC(=O)/C=C/C=C/C(C)=C/C(C)CC)CC[C@@H](C(=O)O)[C@@]21C
InChIInChI=1S/C27H34O6/c1-6-17(2)13-18(3)9-7-8-10-25(30)33-24-12-11-20(26(31)32)27(5)21(14-19(4)16-28)23(29)15-22(24)27/h7-10,13,15-17,20-21,24H,4,6,11-12,14H2,1-3,5H3,(H,31,32)/b9-7+,10-8+,18-13+/t17?,20-,21-,24-,27+/m0/s1
InChIKeyOSNZHRXZUAKEOD-SCUDADPKSA-N
Species of MetaboliteComponentSourceComments
Dictyopanus (ncbitaxon:135781) - PubMed (11079807)
ChEBI Ontology
Outgoing Relation(s)
Dictyopanine C (CHEBI:213184) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
(3R,3aS,4R,7S)-7-[(2E,4E,6E)-6,8-dimethyldeca-2,4,6-trienoyl]oxy-3-(2-ormylprop-2-enyl)-3a-methyl-2-oxo-4,5,6,7-tetrahydro-3H-indene-4-carboxylic acid
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