EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H24O8 |
| Net Charge | 0 |
| Average Mass | 380.393 |
| Monoisotopic Mass | 380.14712 |
| SMILES | C=C1C(O)C23CC1(O)CCC2C12CC(O)C(O)C(C)(C(=O)O1)C2C3C(=O)O |
| InChI | InChI=1S/C19H24O8/c1-7-12(21)18-6-17(7,26)4-3-9(18)19-5-8(20)13(22)16(2,15(25)27-19)11(19)10(18)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24) |
| InChIKey | VCYXZJKAYAIMDV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant hormone A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gibberellin A75 (CHEBI:169089) is a C19-gibberellin (CHEBI:20858) |
| Gibberellin A75 (CHEBI:169089) is a gibberellin monocarboxylic acid (CHEBI:38305) |
| IUPAC Name |
|---|
| 5,7,12,13-tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 35014300 | ChemSpider |
| HMDB0036893 | HMDB |