EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:204350 - 18E-lyngbyaloside C
| Formula | C30H49BrO10 |
| Net Charge | 0 |
| Average Mass | 649.616 |
| Monoisotopic Mass | 648.25091 |
| SMILES | CO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@@H](C)[C@H](O)C[C@@](C)(CC/C=C/C=C/Br)OC(=O)C[C@](O)(C2)O3)[C@@H]1OC |
| InChI | InChI=1S/C30H49BrO10/c1-19-11-12-21-15-22(39-28-27(37-6)26(36-5)25(35-4)20(2)38-28)16-30(34,40-21)18-24(33)41-29(3,17-23(19)32)13-9-7-8-10-14-31/h7-8,10,14,19-23,25-28,32,34H,9,11-13,15-18H2,1-6H3/b8-7+,14-10+/t19-,20+,21+,22-,23-,25+,26-,27-,28+,29-,30+/m1/s1 |
| InChIKey | CKTXZFBKOQGTIC-XPFUENKGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Moorena bouillonii (ncbitaxon:207920) | - | PubMed (20704304) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 18E-lyngbyaloside C (CHEBI:204350) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (1S,5R,7R,8R,11S,13R)-5-[(3E,5E)-6-bromohexa-3,5-dienyl]-1,7-dihydroxy-5,8-dimethyl-13-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4,15-dioxabicyclo[9.3.1]pentadecan-3-one |
| Manual Xrefs | Databases |
|---|---|
| 25053388 | ChemSpider |