EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C49H62O14 |
| Net Charge | 0 |
| Average Mass | 875.021 |
| Monoisotopic Mass | 874.41396 |
| SMILES | COc1cc(O)cc(C)c1C(=O)OC1C(C)OC(OC2CC(C)=CC3C2CC(C)C2/C(C)=C\CC/C(C)=C\C4(C)C=C(C(=O)O)C(C)CC45OC(=O)C(=C(O)C32C)C5=O)C(O)C1O |
| InChI | InChI=1S/C49H62O14/c1-22-12-11-13-24(3)37-26(5)17-30-32(48(37,9)41(53)36-42(54)49(63-45(36)58)20-27(6)31(43(55)56)21-47(49,8)19-22)14-23(2)15-33(30)61-46-39(52)38(51)40(28(7)60-46)62-44(57)35-25(4)16-29(50)18-34(35)59-10/h13-14,16,18-19,21,26-28,30,32-33,37-40,46,50-53H,11-12,15,17,20H2,1-10H3,(H,55,56)/b22-19-,24-13-,41-36? |
| InChIKey | YBBPYHLBMFQENP-NKVPEUEOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (22072992) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tetromycin 4 (CHEBI:198232) is a sesterterpenoid (CHEBI:26660) |
| IUPAC Name |
|---|
| (7Z,11Z)-17-[3,4-dihydroxy-5-(4-hydroxy-2-methoxy-6-methylbenzoyl)oxy-6-methyloxan-2-yl]oxy-23-hydroxy-3,6,8,12,14,19,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,19,23-pentaene-4-carboxylic acid |