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CHEBI:211425 - Borrelidin J
| Formula | C28H45NO7 |
| Net Charge | 0 |
| Average Mass | 507.668 |
| Monoisotopic Mass | 507.31960 |
| SMILES | C[C@H](C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O)C[C@H](C)[C@@H](O)/C(C#N)=C\C=C\C[C@H](O)[C@@H]1CCC[C@H]1C(=O)O |
| InChI | InChI=1S/C28H45NO7/c1-17(13-19(3)25(31)15-26(32)33)12-18(2)14-20(4)27(34)21(16-29)8-5-6-11-24(30)22-9-7-10-23(22)28(35)36/h5-6,8,17-20,22-25,27,30-31,34H,7,9-15H2,1-4H3,(H,32,33)(H,35,36)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1 |
| InChIKey | YWWOKRBXAQCQAI-UGKRXNSESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | |||
| - | PubMed (31134000) | ||
| - | DOI (10.1016/j.tetlet.2018.11.023) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Borrelidin J (CHEBI:211425) is a diterpenoid (CHEBI:23849) |
| IUPAC Names |
|---|
| (1R,2R)-2-[(1S,3E,5Z,7R,8S,10R,12S,14S,15S)-16-carboxy-6-cyano-1,7,15-trihydroxy-8,10,12,14-tetramethylhexadeca-3,5-dienyl]cyclopentane-1-carboxylic acid |
| (1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-11-(hydroxymethyl)-9,13,15-trimethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 73950478 | ChemSpider |