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CHEBI:217413 - Duclauxamide A1
| Formula | C30H23NO10 |
| Net Charge | 0 |
| Average Mass | 557.511 |
| Monoisotopic Mass | 557.13220 |
| SMILES | CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)c1c2c2c(C)cc(=O)c3c(O)n(CCO)cc(c1=O)c23 |
| InChI | InChI=1S/C30H23NO10/c1-10-6-14(34)19-18-13(8-31(4-5-32)28(19)38)25(36)24-21(16(10)18)22-26(37)17-11(2)7-15(35)20-23(17)30(24,9-40-29(20)39)27(22)41-12(3)33/h6-8,22,27,32,35,38H,4-5,9H2,1-3H3/t22-,27-,30-/m0/s1 |
| InChIKey | WAHOUCCFIHSJQV-NBTVYNQOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (25695664) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Duclauxamide A1 (CHEBI:217413) is a organic tricyclic compound (CHEBI:51959) |
| IUPAC Name |
|---|
| [(1S,14R,24S)-7,19-dihydroxy-6-(2-hydroxyethyl)-11,17-dimethyl-3,9,15,21-tetraoxo-22-oxa-6-azaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaen-24-yl] acetate |