Ro09-1543 (CHEBI:215949)

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CHEBI:215949 - Ro09-1543

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ChEBI ID	CHEBI:215949
ChEBI Name	Ro09-1543
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H33NO5
Net Charge	0
Average Mass	379.497
Monoisotopic Mass	379.23587
SMILES	CCC/C=C/C=C/C=C(\C)C1OCC(C)C(OC)C1OC(=O)CNC(C)=O
InChI	InChI=1S/C21H33NO5/c1-6-7-8-9-10-11-12-15(2)20-21(19(25-5)16(3)14-26-20)27-18(24)13-22-17(4)23/h8-12,16,19-21H,6-7,13-14H2,1-5H3,(H,22,23)/b9-8+,11-10+,15-12+
InChIKey	SQLQLDKOWUQTAV-MBEHRSBJSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (1556006)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Ro09-1543 (CHEBI:215949) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
[2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl] 2-acetamidoacetate

Manual Xrefs	Databases
78443847	ChemSpider