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CHEBI:216730 - F-16438 F
| Formula | C45H68O21 |
| Net Charge | 0 |
| Average Mass | 945.018 |
| Monoisotopic Mass | 944.42531 |
| SMILES | CC(=O)OC1C(O)[C@H](O)C(CO)O[C@H]1O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H](OC(C)=O)C(=O)OC(C)CCCCCCCCCCCCCCCC(=O)Cc1cccc(O)c1C(=O)O |
| InChI | InChI=1S/C45H68O21/c1-26(18-15-13-11-9-7-5-4-6-8-10-12-14-16-20-30(49)22-29-19-17-21-31(50)36(29)43(58)59)62-44(60)41(63-27(2)47)39(56)38(55)33(25-61-35(53)23-34(51)52)66-45-42(64-28(3)48)40(57)37(54)32(24-46)65-45/h17,19,21,26,32-33,37-42,45-46,50,54-57H,4-16,18,20,22-25H2,1-3H3,(H,51,52)(H,58,59)/t26?,32?,33-,37-,38-,39+,40?,41+,42?,45+/m1/s1 |
| InChIKey | WUZSQJRSRAQNGI-QTKGPGJESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gloeoporus dichrous (ncbitaxon:329018) | - | PubMed (17323643) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| F-16438 F (CHEBI:216730) has functional parent pentacarboxylic acid (CHEBI:35743) |
| F-16438 F (CHEBI:216730) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| 2-[18-[(2S,3S,4S,5R)-2-acetyloxy-5-[(2S,5S)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(2-carboxyacetyl)oxy-3,4-dihydroxyhexanoyl]oxy-2-oxononadecyl]-6-hydroxybenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78445197 | ChemSpider |