EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H56O14 |
| Net Charge | 0 |
| Average Mass | 664.786 |
| Monoisotopic Mass | 664.36701 |
| SMILES | CC(CCCCCCCCCCCCC[C@@H]1OC(=O)[C@@H](C)[C@H]1C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C32H56O14/c1-18(43-31-27(38)24(35)20(34)17-42-31)14-12-10-8-6-4-3-5-7-9-11-13-15-21-23(19(2)29(40)44-21)30(41)46-32-28(39)26(37)25(36)22(16-33)45-32/h18-28,31-39H,3-17H2,1-2H3/t18?,19-,20+,21-,22+,23+,24-,25+,26-,27+,28+,31-,32-/m0/s1 |
| InChIKey | GCOYHCZVIVYSAX-LUIFYOAISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Acarospora (ncbitaxon:88747) | - | PubMed (11557085) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 18-O-b-D-Xylopyranosyl-18S-hydroxydihydroprotolichesterinate21-O-b-D-glucopyranoside (CHEBI:222440) is a O-acyl carbohydrate (CHEBI:52782) |
| IUPAC Name |
|---|
| [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,3R,4S)-4-methyl-5-oxo-2-[14-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentadecyl]oxolane-3-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 78439806 | ChemSpider |