CHEBI:102534 - 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester ChEBI ID CHEBI:102534 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 C21H27NO7 Net Charge 0 Average Mass 405.442 Monoisotopic Mass 405.17875 InChI InChI=1S/C21H27NO7/c1-26-19(24)10-14-9-16-15-8-13(22-21(25)12-4-6-27-7-5-12)2-3-17(15)29-20(16)18(11-23)28-14/h2-3,8,12,14,16,18,20,23H,4-7,9-11H2,1H3,(H,22,25)/t14-,16-,18+,20+/m1/s1 InChIKey CYYYAXPAVULRAL-BIJSTVTOSA-N SMILES COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4CCOCC4 ChEBI Ontology Outgoing 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:102534) is a furopyran (CHEBI:74927) Manual Xref Database LSM-13881 LINCS View more database links