EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C46H79NO17 |
| Net Charge | 0 |
| Average Mass | 918.128 |
| Monoisotopic Mass | 917.53480 |
| SMILES | CCC1OC(=O)CC(O)C(C)C(OC2CC(N(C)C)C(OC3CC(C)(O)C(O)C(C)O3)C(C)O2)C(CCO)CC(C)C(=O)C=CC2(C)OC2C1COC1OC(C)C(O)C(OC)C1OC |
| InChI | InChI=1S/C46H79NO17/c1-13-33-29(22-57-44-41(56-12)40(55-11)37(52)25(4)60-44)43-46(8,64-43)16-14-31(49)23(2)18-28(15-17-48)38(24(3)32(50)20-34(51)61-33)62-35-19-30(47(9)10)39(26(5)58-35)63-36-21-45(7,54)42(53)27(6)59-36/h14,16,23-30,32-33,35-44,48,50,52-54H,13,15,17-22H2,1-12H3 |
| InChIKey | BQWYHBDBNMUMDA-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (1399843) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 18-dihydro-angolamycin (CHEBI:213010) is a aminoglycoside (CHEBI:47779) |
| IUPAC Name |
|---|
| 9-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-10-(2-hydroxyethyl)-8,12,16-trimethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione |