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CHEBI:222199 - Chaetopenoid B

ChEBI IDCHEBI:222199
ChEBI NameChaetopenoid B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O6
Net Charge0
Average Mass428.525
Monoisotopic Mass428.21989
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/[C@@H](C)CC)[C@@H]2C
InChIInChI=1S/C25H32O6/c1-7-15(2)12-16(3)8-11-22(27)31-20-10-9-19-13-21(26)25(30,18(5)23(28)29)14-24(19,6)17(20)4/h8-13,15,17,20,30H,5,7,14H2,1-4,6H3,(H,28,29)/b11-8+,16-12+/t15-,17-,20-,24+,25+/m0/s1
InChIKeyOFDBBWUQAHAKDG-LYGDIALYSA-N
Species of MetaboliteComponentSourceComments
Chaetoconis (ncbitaxon:565394) - PubMed (26995148)
ChEBI Ontology
Outgoing Relation(s)
Chaetopenoid B (CHEBI:222199) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2R,7S,8R,8aR)-7-[(2E,4E,6S)-4,6-dimethylocta-2,4-dienoyl]oxy-2-hydroxy-8,8a-dimethyl-3-oxo-7,8-dihydro-1H-naphthalen-2-yl]prop-2-enoic acid
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