N-[(1R,3R,4aS,9aR)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:117576)

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CHEBI:117576 - N-[(1R,3R,4aS,9aR)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

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ChEBI ID	CHEBI:117576
ChEBI Name	N-[(1R,3R,4aS,9aR)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
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Downloads	Molfile

Formula	C27H30N2O7
Net Charge	0
Average Mass	494.544
Monoisotopic Mass	494.20530
SMILES	O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc2c(c1)OCO2
InChI	InChI=1S/C27H30N2O7/c30-13-24-27-20(19-9-17(4-6-21(19)36-27)29-26(32)8-15-1-2-15)10-18(35-24)11-25(31)28-12-16-3-5-22-23(7-16)34-14-33-22/h3-7,9,15,18,20,24,27,30H,1-2,8,10-14H2,(H,28,31)(H,29,32)/t18-,20+,24-,27-/m1/s1
InChIKey	LBWAYGFZRYCTOK-NGJNWXRCSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1R,3R,4aS,9aR)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:117576) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-29025	LINCS