EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H34O10 |
| Net Charge | 0 |
| Average Mass | 494.537 |
| Monoisotopic Mass | 494.21520 |
| SMILES | C=C1CC23CC1(OC1OC(CO)C(O)C(O)C1O)CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)O |
| InChI | InChI=1S/C25H34O10/c1-11-8-23-10-24(11,34-20-17(29)16(28)15(27)12(9-26)33-20)7-4-13(23)25-6-3-5-22(2,21(32)35-25)18(25)14(23)19(30)31/h12-18,20,26-29H,1,3-10H2,2H3,(H,30,31) |
| InChIKey | ZXTKKUHKNXKMEL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gibberellin A20 13-glucoside (CHEBI:172715) is a diterpene glycoside (CHEBI:71939) |
| IUPAC Name |
|---|
| 11-methyl-6-methylidene-16-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0033412 | HMDB |