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CHEBI:209998 - Chaetopenoid C

ChEBI IDCHEBI:209998
ChEBI NameChaetopenoid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O7
Net Charge0
Average Mass430.497
Monoisotopic Mass430.19915
SMILESC=C(C(=O)O)[C@]1(O)C[C@@]2(C)C(=CC1=O)C=C[C@H](OC(=O)/C=C/C=C/[C@H](CC)CO)[C@@H]2C
InChIInChI=1S/C24H30O7/c1-5-17(13-25)8-6-7-9-21(27)31-19-11-10-18-12-20(26)24(30,16(3)22(28)29)14-23(18,4)15(19)2/h6-12,15,17,19,25,30H,3,5,13-14H2,1-2,4H3,(H,28,29)/b8-6+,9-7+/t15-,17-,19-,23+,24+/m0/s1
InChIKeyKHPKOLUDHGTNRD-SVNIFQBESA-N
Species of MetaboliteComponentSourceComments
Chaetoconis (ncbitaxon:565394) - PubMed (26995148)
ChEBI Ontology
Outgoing Relation(s)
Chaetopenoid C (CHEBI:209998) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2R,7S,8R,8aR)-2-hydroxy-7-[(2E,4E,6S)-6-(hydroxymethyl)octa-2,4-dienoyl]oxy-8,8a-dimethyl-3-oxo-7,8-dihydro-1H-naphthalen-2-yl]prop-2-enoic acid
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