Gliocladride A (CHEBI:212153)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212153 - Gliocladride A

Take structure to advanced search

ChEBI ID	CHEBI:212153
ChEBI Name	Gliocladride A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H28N2O4
Net Charge	0
Average Mass	384.476
Monoisotopic Mass	384.20491
SMILES	CC(C)=CCC/C(C)=C/COc1ccc(/C=C2\NC(=O)[C@H](C)N(O)C2=O)cc1
InChI	InChI=1S/C22H28N2O4/c1-15(2)6-5-7-16(3)12-13-28-19-10-8-18(9-11-19)14-20-22(26)24(27)17(4)21(25)23-20/h6,8-12,14,17,27H,5,7,13H2,1-4H3,(H,23,25)/b16-12+,20-14-/t17-/m0/s1
InChIKey	FMVPWWRMFNNRRJ-ITZIZTMESA-N

Species of Metabolite	Component	Source	Comments
Gliocladiumspecies (ncbitaxon:1955101)	-	PubMed (19827308)

ChEBI Ontology

Outgoing Relation(s)
	Gliocladride A (CHEBI:212153) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(3Z,6S)-3-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylidene]-1-hydroxy-6-methylpiperazine-2,5-dione

Manual Xrefs	Databases
27024174	ChemSpider