EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C29H40N2O9 |
| Net Charge | 0 |
| Average Mass | 560.644 |
| Monoisotopic Mass | 560.27338 |
| SMILES | COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O |
| InChI | InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/t15-,17+,22+,23+,24-,26+/m1/s1 |
| InChIKey | QTQAWLPCGQOSGP-UPLAMSTMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| carbamic acid [(3R,5S,6R,7S,10S,11S)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester (CHEBI:91381) is a azamacrocycle (CHEBI:52898) |
| carbamic acid [(3R,5S,6R,7S,10S,11S)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester (CHEBI:91381) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1108 | LINCS |