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CHEBI:70807 - pentalenolactone E
| Formula | C15H18O4 |
| Net Charge | 0 |
| Average Mass | 262.305 |
| Monoisotopic Mass | 262.12051 |
| SMILES | [H][C@@]12COC(=O)C(=C)[C@@]13CC(C)(C)C[C@@]3([H])C=C2C(=O)O |
| InChI | InChI=1S/C15H18O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,9,11H,1,5-7H2,2-3H3,(H,16,17)/t9-,11+,15-/m1/s1 |
| InChIKey | VDWJABPVVAYLBS-BPYAMOTFSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pentalenolactone E (CHEBI:70807) has role bacterial metabolite (CHEBI:76969) |
| pentalenolactone E (CHEBI:70807) is a organic heterotricyclic compound (CHEBI:26979) |
| pentalenolactone E (CHEBI:70807) is a sesquiterpene lactone (CHEBI:37667) |
| pentalenolactone E (CHEBI:70807) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| pentalenolactone E (CHEBI:70807) is conjugate acid of pentalenolactone E(1−) (CHEBI:70788) |
| Incoming Relation(s) |
| pentalenolactone E(1−) (CHEBI:70788) is conjugate base of pentalenolactone E (CHEBI:70807) |
| IUPAC Name |
|---|
| (4aR,7aS,9aR)-6,6-dimethyl-4-methylene-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylic acid |
| Citations |
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