Sterenin L (CHEBI:204872)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204872 - Sterenin L

Take structure to advanced search

ChEBI ID	CHEBI:204872
ChEBI Name	Sterenin L
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H31NO8
Net Charge	0
Average Mass	497.544
Monoisotopic Mass	497.20497
SMILES	CCC(C)C(C(=O)O)N1Cc2c(cc(OC(=O)c3c(C)cc(O)cc3O)c(CC=C(C)C)c2O)C1=O
InChI	InChI=1S/C27H31NO8/c1-6-14(4)23(26(33)34)28-12-19-18(25(28)32)11-21(17(24(19)31)8-7-13(2)3)36-27(35)22-15(5)9-16(29)10-20(22)30/h7,9-11,14,23,29-31H,6,8,12H2,1-5H3,(H,33,34)
InChIKey	JTVABVBUKOFJFR-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Stereum hirsutum (ncbitaxon:40492)	-	PubMed (25029175)

ChEBI Ontology

Outgoing Relation(s)
	Sterenin L (CHEBI:204872) is a isoleucine derivative (CHEBI:24899)

IUPAC Name
2-[5-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-6-(3-methylbut-2-enyl)-3-oxo-1H-isoindol-2-yl]-3-methylpentanoic acid

Manual Xrefs	Databases
78435348	ChemSpider