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CHEBI:206220 - Curvicollide A

ChEBI IDCHEBI:206220
ChEBI NameCurvicollide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O5
Net Charge0
Average Mass432.601
Monoisotopic Mass432.28757
SMILESCCCCC(/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)CO
InChIInChI=1S/C26H40O5/c1-7-8-11-22(16-27)12-9-10-18(3)25-20(5)23(26(30)31-25)15-17(2)13-14-24(29)19(4)21(6)28/h9-10,12-15,19-20,22-25,27,29H,7-8,11,16H2,1-6H3/b12-9+,14-13+,17-15+,18-10+/t19?,20-,22?,23-,24?,25+/m0/s1
InChIKeyILWNCKYWOXQWIB-FZPOLNTBSA-N
Species of MetaboliteComponentSourceComments
Pseudoechria curvicolla (ncbitaxon:48157) - PubMed (15070309)
ChEBI Ontology
Outgoing Relation(s)
Curvicollide A (CHEBI:206220) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(3S,4S,5S)-3-[(1E,3E)-5-hydroxy-2,6-dimethyl-7-oxoocta-1,3-dienyl]-5-[(2E,4E)-6-(hydroxymethyl)deca-2,4-dien-2-yl]-4-methyloxolan-2-one
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9559860ChemSpider