Showing Metabocard for 2-trans,4-trans-xanthoxin (BASm0008052)
| Common Name | 2-trans,4-trans-xanthoxin |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C15H22O3 |
| Average Mass | 250.15690 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=O |
| InChI Identifier | InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6-/t12-,14+,15-/m0/s1 |
| InChI Key | ZTALKMXOHWQNIA-TVBSHJCBSA-N |
| CHEBI ID | CHEBI:91126 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |