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CHEBI:200552 - Ambruticin VS-3
| Formula | C30H47NO5 |
| Net Charge | 0 |
| Average Mass | 501.708 |
| Monoisotopic Mass | 501.34542 |
| SMILES | CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@H]2[C@@H](C)[C@@H]2/C=C/[C@@H]2O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]2O)CC=C1C |
| InChI | InChI=1S/C30H47NO5/c1-8-26-19(3)10-13-27(36-26)20(4)15-18(2)9-11-23-21(5)24(23)12-14-28-30(34)25(31(6)7)16-22(35-28)17-29(32)33/h9-12,14-15,18,21-28,30,34H,8,13,16-17H2,1-7H3,(H,32,33)/b11-9+,14-12+,20-15+/t18-,21-,22+,23+,24+,25+,26-,27-,28+,30-/m1/s1 |
| InChIKey | KLTHMLORYIRDPP-COTDPOAQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sorangium cellulosum (ncbitaxon:56) | - | DOI (10.1002/jlac.1991199101161) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ambruticin VS-3 (CHEBI:200552) is a C-glycosyl compound (CHEBI:20857) |
| IUPAC Name |
|---|
| 2-[(2S,4S,5R,6S)-4-(dimethylamino)-6-[(E)-2-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-5-hydroxyoxan-2-yl]acetic acid |
| Manual Xrefs | Databases |
|---|---|
| 10150312 | ChemSpider |