Sterenin D (CHEBI:209677)

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CHEBI:209677 - Sterenin D

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ChEBI ID	CHEBI:209677
ChEBI Name	Sterenin D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H23NO8
Net Charge	0
Average Mass	441.436
Monoisotopic Mass	441.14237
SMILES	CC(C)=CCc1c(OC(=O)c2c(C)cc(O)cc2O)cc2c(c1O)CN(CC(=O)O)C2=O
InChI	InChI=1S/C23H23NO8/c1-11(2)4-5-14-18(32-23(31)20-12(3)6-13(25)7-17(20)26)8-15-16(21(14)29)9-24(22(15)30)10-19(27)28/h4,6-8,25-26,29H,5,9-10H2,1-3H3,(H,27,28)
InChIKey	IMPZRHMUHJDKTE-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Stereum (ncbitaxon:5644)	-	PubMed (18503190)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Sterenin D (CHEBI:209677) is a indolyl carboxylic acid (CHEBI:46867)

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

Manual Xrefs	Databases
78435097	ChemSpider