EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C46H66O6 |
| Net Charge | 0 |
| Average Mass | 715.028 |
| Monoisotopic Mass | 714.48594 |
| SMILES | [H]OC([H])([H])[C@@]1([H])O[C@]([H])(OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])/C(=C([H])/C([H])=C([H])/C(=C([H])/C([H])=C([H])/C(=C([H])/C([H])=C([H])/C([H])=C(C(/[H])=C([H])/C([H])=C(C(/[H])=C([H])/C([H])=C(C(/[H])=C(\[H])C([H])=C(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
| InChI | InChI=1S/C46H66O6/c1-34(2)19-13-22-37(5)25-16-28-38(6)26-14-23-35(3)20-11-12-21-36(4)24-15-27-39(7)29-17-30-40(8)31-18-32-46(9,10)52-45-44(50)43(49)42(48)41(33-47)51-45/h11-17,19-30,41-45,47-50H,18,31-33H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,35-20+,36-21+,37-25+,38-26+,39-27+,40-30+/t41-,42-,43+,44-,45-/m1/s1 |
| InChIKey | ISHBHDBCVQRMDY-BXSPIYSNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| RHODOPIN GLUCOSIDE (CHEBI:45387) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (3E)-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl alpha-D-glucopyranoside | PDBeChem |
| RHODOPIN GLUCOSIDE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| RG1 | PDBeChem |