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CHEBI:197526 - Homopetasinic acid

ChEBI IDCHEBI:197526
ChEBI NameHomopetasinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O6
Net Charge0
Average Mass416.514
Monoisotopic Mass416.21989
SMILESC=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)[C@@H](C)[C@@H](O)/C=C/C=C/C(=O)O)[C@@H]2C
InChIInChI=1S/C24H32O6/c1-14(2)18-13-24(5)16(4)21(11-10-17(24)12-20(18)26)30-23(29)15(3)19(25)8-6-7-9-22(27)28/h6-9,12,15-16,18-19,21,25H,1,10-11,13H2,2-5H3,(H,27,28)/b8-6+,9-7+/t15-,16-,18-,19-,21+,24+/m0/s1
InChIKeyMMWCHIIGAIJQMV-DHCANEKFSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - DOI (10.1016/j.tetlet.2016.01.095)
ChEBI Ontology
Outgoing Relation(s)
Homopetasinic acid (CHEBI:197526) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2E,4E,6S,7S)-8-[[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl]oxy]-6-hydroxy-7-methyl-8-oxoocta-2,4-dienoic acid
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78436226ChemSpider