Pyrenophoric acid C (CHEBI:226072)

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CHEBI:226072 - Pyrenophoric acid C

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ChEBI ID	CHEBI:226072
ChEBI Name	Pyrenophoric acid C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H24O4
Net Charge	0
Average Mass	268.353
Monoisotopic Mass	268.16746
SMILES	CC(=C/C(=O)O)/C=C/[C@@H]1[C@@H](C)C[C@@H](O)[C@@H](O)C1(C)C
InChI	InChI=1S/C15H24O4/c1-9(7-13(17)18)5-6-11-10(2)8-12(16)14(19)15(11,3)4/h5-7,10-12,14,16,19H,8H2,1-4H3,(H,17,18)/b6-5+,9-7-/t10-,11+,12+,14+/m0/s1
InChIKey	MSGLVYRESMKEPC-VBNCSPLBSA-N

Species of Metabolite	Component	Source	Comments
Pyrenophora seminiperda (ncbitaxon:91370)	-	PubMed (25264583)

ChEBI Ontology

Outgoing Relation(s)
	Pyrenophoric acid C (CHEBI:226072) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(2Z,4E)-5-[(1S,3S,4R,6S)-3,4-dihydroxy-2,2,6-trimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid

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78438331	ChemSpider