EI-1151-3 (CHEBI:215829)

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CHEBI:215829 - EI-1151-3

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ChEBI ID	CHEBI:215829
ChEBI Name	EI-1151-3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H32N2O7
Net Charge	0
Average Mass	520.582
Monoisotopic Mass	520.22095
SMILES	CC(C)C/C=C/C=C/C=C/C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O
InChI	InChI=1S/C29H32N2O7/c1-19(2)12-8-4-3-5-9-13-23(34)30-20-18-29(37,28-27(38-28)26(20)36)17-11-7-6-10-14-24(35)31-25-21(32)15-16-22(25)33/h3-11,13-14,17-19,27-28,32,37H,12,15-16H2,1-2H3,(H,30,34)(H,31,35)/b5-3+,7-6+,8-4+,13-9+,14-10+,17-11+/t27-,28-,29+/m1/s1
InChIKey	GLLPHENDWDLKRH-DRQHFBIZSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (8982334)

ChEBI Ontology

Outgoing Relation(s)
	EI-1151-3 (CHEBI:215829) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(2E,4E,6E)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-9-methyldeca-2,4,6-trienamide

Manual Xrefs	Databases
78437548	ChemSpider