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CHEBI:218096 - Divergolide I
| Formula | C31H33NO8 |
| Net Charge | 0 |
| Average Mass | 547.604 |
| Monoisotopic Mass | 547.22062 |
| SMILES | CC[C@H]1/C=C/[C@@H]([C@@H](O)C=C(C)C)OC(=O)[C@@]2(C)C=CC(=O)NC3=C2C(=O)c2c(cc(C)c(O)c2C(=O)CC1)C3=O |
| InChI | InChI=1S/C31H33NO8/c1-6-17-7-9-19(33)24-23-18(14-16(4)27(24)36)28(37)26-25(29(23)38)31(5,12-11-22(35)32-26)30(39)40-21(10-8-17)20(34)13-15(2)3/h8,10-14,17,20-21,34,36H,6-7,9H2,1-5H3,(H,32,35)/b10-8+/t17-,20+,21+,31+/m1/s1 |
| InChIKey | JPEZCKKUWILCJX-AZHGDDGQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | DOI (10.1016/j.tet.2017.11.069) | |
| Streptomycesspecies (ncbitaxon:1931) | - | PubMed (25464499) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Divergolide I (CHEBI:218096) is a azamacrocycle (CHEBI:52898) |
| Divergolide I (CHEBI:218096) is a keratan 6'-sulfate (CHEBI:18331) |
| IUPAC Names |
|---|
| (9R,10E,12S,15S)-9-ethyl-4-hydroxy-12-[(1S)-1-hydroxy-3-methylbut-2-enyl]-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone |
| (9R,10E,12S,15R)-9-ethyl-4-hydroxy-12-[(1S)-1-hydroxy-3-methylbut-2-enyl]-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone |