N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:99827)

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CHEBI:99827 - N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide

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ChEBI ID	CHEBI:99827
ChEBI Name	N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
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Formula	C28H34N2O7
Net Charge	0
Average Mass	510.587
Monoisotopic Mass	510.23660
SMILES	COc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1
InChI	InChI=1S/C28H34N2O7/c1-34-23-5-3-2-4-18(23)15-29-26(32)14-20-13-22-21-12-19(30-28(33)17-8-10-35-11-9-17)6-7-24(21)37-27(22)25(16-31)36-20/h2-7,12,17,20,22,25,27,31H,8-11,13-16H2,1H3,(H,29,32)(H,30,33)/t20-,22+,25-,27-/m0/s1
InChIKey	FSAONXZLMNAVLZ-BUZLNKNLSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:99827) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-11206	LINCS