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CHEBI:203769 - Curvicollide C

ChEBI IDCHEBI:203769
ChEBI NameCurvicollide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O4
Net Charge0
Average Mass416.602
Monoisotopic Mass416.29266
SMILESCCCCC(C)/C=C/C=C(\C)[C@H]1OC(=O)[C@@H](/C=C(C)/C=C/C(O)C(C)C(C)=O)[C@@H]1C
InChIInChI=1S/C26H40O4/c1-8-9-11-17(2)12-10-13-19(4)25-21(6)23(26(29)30-25)16-18(3)14-15-24(28)20(5)22(7)27/h10,12-17,20-21,23-25,28H,8-9,11H2,1-7H3/b12-10+,15-14+,18-16+,19-13+/t17?,20?,21-,23-,24?,25+/m0/s1
InChIKeyBRWLVJDGMFALOU-DXQUSKKLSA-N
Species of MetaboliteComponentSourceComments
Pseudoechria curvicolla (ncbitaxon:48157) - PubMed (15070309)
ChEBI Ontology
Outgoing Relation(s)
Curvicollide C (CHEBI:203769) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(3S,4S,5S)-3-[(1E,3E)-5-hydroxy-2,6-dimethyl-7-oxoocta-1,3-dienyl]-4-methyl-5-[(2E,4E)-6-methyldeca-2,4-dien-2-yl]oxolan-2-one
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78445399ChemSpider