Phomalactone deriv. II (CHEBI:203242)

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CHEBI:203242 - Phomalactone deriv. II

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ChEBI ID	CHEBI:203242
ChEBI Name	Phomalactone deriv. II
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Submitter	MetaboLights
Downloads	Molfile

Formula	C22H30O6
Net Charge	0
Average Mass	390.476
Monoisotopic Mass	390.20424
SMILES	CCCCCCC(C)/C=C(C)/C=C/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/C(=O)O
InChI	InChI=1S/C22H30O6/c1-4-5-6-7-8-16(2)15-17(3)9-13-21(25)28-19-11-14-22(26)27-18(19)10-12-20(23)24/h9-16,18-19H,4-8H2,1-3H3,(H,23,24)/b12-10+,13-9+,17-15+/t16?,18-,19-/m0/s1
InChIKey	SZTWZPUAGRSHIP-MVUYCZRSSA-N

Species of Metabolite	Component	Source	Comments
Phomopsisspecies (ncbitaxon:1715245)	-	PubMed (10604755)

ChEBI Ontology

Outgoing Relation(s)
	Phomalactone deriv. II (CHEBI:203242) is a carbonyl compound (CHEBI:36586)

IUPAC Name
(E)-3-[(2S,3S)-3-[(2E,4E)-4,6-dimethyldodeca-2,4-dienoyl]oxy-6-oxo-2,3-dihydropyran-2-yl]prop-2-enoic acid

Manual Xrefs	Databases
78436982	ChemSpider