Modiolide D (CHEBI:226969)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226969 - Modiolide D

Take structure to advanced search

ChEBI ID	CHEBI:226969
ChEBI Name	Modiolide D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H16O5
Net Charge	0
Average Mass	240.255
Monoisotopic Mass	240.09977
SMILES	CC(=O)O[C@H]1/C=C\C(=O)O[C@H](C)C[C@H](O)/C=C/1
InChI	InChI=1S/C12H16O5/c1-8-7-10(14)3-4-11(17-9(2)13)5-6-12(15)16-8/h3-6,8,10-11,14H,7H2,1-2H3/b4-3+,6-5-/t8-,10-,11-/m1/s1
InChIKey	IGZKYXHLVMUBGS-OGHIQYRTSA-N

Species of Metabolite	Component	Source	Comments
Paraconiothyrium (ncbitaxon:300251)	-	PubMed (29946066)

ChEBI Ontology

Outgoing Relation(s)
	Modiolide D (CHEBI:226969) is a oxacycle (CHEBI:38104)

IUPAC Name
[(2R,4S,5E,7R,8Z)-4-hydroxy-2-methyl-10-oxo-2,3,4,7-tetrahydrooxecin-7-yl] acetate

Manual Xrefs	Databases
71044386	ChemSpider