1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-(4-methoxyphenyl)urea (CHEBI:97758)

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CHEBI:97758 - 1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-(4-methoxyphenyl)urea

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ChEBI ID	CHEBI:97758
ChEBI Name	1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-(4-methoxyphenyl)urea
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Downloads	Molfile

Formula	C27H34N4O6
Net Charge	0
Average Mass	510.591
Monoisotopic Mass	510.24783
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N4CCN(C)CC4)O[C@@H](CO)[C@@H]2O3)cc1
InChI	InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22+,24+,26-/m1/s1
InChIKey	OQZDFPDHTDCUCP-GRTAZNFBSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-(4-methoxyphenyl)urea (CHEBI:97758) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-9137	LINCS