Mps1-IN-2 (CHEBI:188690)

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CHEBI:188690 - Mps1-IN-2

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ChEBI ID	CHEBI:188690
ChEBI Name	Mps1-IN-2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H36N6O3
Net Charge	0
Average Mass	480.613
Monoisotopic Mass	480.28489
SMILES	CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C
InChI	InChI=1S/C26H36N6O3/c1-3-35-23-16-19(31-13-10-20(33)11-14-31)8-9-21(23)28-26-27-17-22-25(29-26)32(18-6-4-5-7-18)15-12-24(34)30(22)2/h8-9,16-18,20,33H,3-7,10-15H2,1-2H3,(H,27,28,29)
InChIKey	WELBJLUKWAJOQV-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Phyllostachys violascens (ncbitaxon:1903417)	stem (BTO:0001300)	MetaboLights (MTBLS3970)	Strain: Phyllostachys violascens cv. Viridisulcata

ChEBI Ontology

Outgoing Relation(s)
	Mps1-IN-2 (CHEBI:188690) is a piperidines (CHEBI:26151)

IUPAC Name
9-cyclopentyl-2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one

Manual Xrefs	Databases
24603929	ChemSpider