CHEBI:101320 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

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ChEBI Name 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid ChEBI ID CHEBI:101320 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H24N2O7 Net Charge 0 Average Mass 428.436 Monoisotopic Mass 428.15835 InChI InChI=1S/C22H24N2O7/c1-29-14-5-2-12(3-6-14)23-22(28)24-13-4-7-18-16(8-13)17-9-15(10-20(26)27)30-19(11-25)21(17)31-18/h2-8,15,17,19,21,25H,9-11H2,1H3,(H,26,27)(H2,23,24,28)/t15-,17+,19+,21-/m1/s1 InChIKey WGYNXZDTDZWEBG-ZWVMGRIOSA-N SMILES COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)O ChEBI Ontology Outgoing 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:101320) is a ureas (CHEBI:47857) Manual Xref Database LSM-12686 LINCS View more database links