EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H27O4 |
| Net Charge | -1 |
| Average Mass | 331.432 |
| Monoisotopic Mass | 331.19148 |
| SMILES | [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C=O)[C@@]1([H])[C@@]2(C)CC[C@H](O)[C@@]1(C)C(=O)[O-] |
| InChI | InChI=1S/C20H28O4/c1-11-8-20-9-12(11)4-5-14(20)18(2)7-6-15(22)19(3,17(23)24)16(18)13(20)10-21/h10,12-16,22H,1,4-9H2,2-3H3,(H,23,24)/p-1/t12-,13+,14+,15+,16+,18+,19-,20-/m1/s1 |
| InChIKey | YMDYUWHAQBYOMU-HYAYUQHRSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gibberellin A14 aldehyde(1−) (CHEBI:143960) is a gibberellin carboxylic acid anion (CHEBI:59139) |
| gibberellin A14 aldehyde(1−) (CHEBI:143960) is conjugate base of gibberellin A14 aldehyde (CHEBI:29589) |
| Incoming Relation(s) |
| gibberellin A14 aldehyde (CHEBI:29589) is conjugate acid of gibberellin A14 aldehyde(1−) (CHEBI:143960) |
| UniProt Name | Source |
|---|---|
| gibberellin A14 aldehyde | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-6227 | MetaCyc |