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CHEBI:205554 - Chaetopenoid A

ChEBI IDCHEBI:205554
ChEBI NameChaetopenoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O6
Net Charge0
Average Mass414.498
Monoisotopic Mass414.20424
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](C)CC)[C@@H]2C
InChIInChI=1S/C24H30O6/c1-6-15(2)9-7-8-10-21(26)30-19-12-11-18-13-20(25)24(29,17(4)22(27)28)14-23(18,5)16(19)3/h7-13,15-16,19,29H,4,6,14H2,1-3,5H3,(H,27,28)/b9-7+,10-8+/t15-,16-,19-,23+,24+/m0/s1
InChIKeyUAMUYXWJNMHHRV-PSVRVQPJSA-N
Species of MetaboliteComponentSourceComments
Chaetoconis (ncbitaxon:565394) - PubMed (26995148)
ChEBI Ontology
Outgoing Relation(s)
Chaetopenoid A (CHEBI:205554) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2R,7S,8R,8aR)-2-hydroxy-8,8a-dimethyl-7-[(2E,4E,6S)-6-methylocta-2,4-dienoyl]oxy-3-oxo-7,8-dihydro-1H-naphthalen-2-yl]prop-2-enoic acid
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