EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C59H90O8 |
| Net Charge | 0 |
| Average Mass | 927.361 |
| Monoisotopic Mass | 926.66357 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O[C@@H]3O[C@H](COC(=O)CCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 |
| InChI | InChI=1S/C59H90O8/c1-41(2)24-18-16-14-13-15-17-19-31-53(61)65-40-52-54(62)55(63)56(64)57(67-52)66-49-37-47(8)51(59(11,12)39-49)35-33-45(6)30-23-28-43(4)26-21-20-25-42(3)27-22-29-44(5)32-34-50-46(7)36-48(60)38-58(50,9)10/h20-23,25-30,32-35,41,48-49,52,54-57,60,62-64H,13-19,24,31,36-40H2,1-12H3/b21-20+,27-22+,28-23+,34-32+,35-33+,42-25+,43-26+,44-29+,45-30+/t48-,49-,52-,54-,55+,56-,57-/m1/s1 |
| InChIKey | HHINJQKIQDURLW-XFMDTAGXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| thermozeaxanthin-13 (CHEBI:80205) is a thermozeaxanthin (CHEBI:80227) |
| Manual Xrefs | Databases |
|---|---|
| C15956 | KEGG COMPOUND |