EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30O8 |
| Net Charge | 0 |
| Average Mass | 398.452 |
| Monoisotopic Mass | 398.19407 |
| SMILES | [H][C@]12[C@H](O)[C@]3(O)C[C@H](O)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@]12O)C3(C)C |
| InChI | InChI=1S/C20H30O8/c1-8-9(21)6-20(27)16(25)14-18(4,10(22)5-11-19(14,26)7-28-11)15(24)13(23)12(8)17(20,2)3/h9-11,13-14,16,21-23,25-27H,5-7H2,1-4H3/t9-,10-,11+,13+,14-,16-,18+,19-,20+/m0/s1 |
| InChIKey | RDHYTEHLFAGCRE-CZDNZVSQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1β,2α,4α,7β,10β,13α-hexahydroxy-5β,20-epoxytax-11-en-9-one (CHEBI:232569) has functional parent baccatin III (CHEBI:32898) |
| 1β,2α,4α,7β,10β,13α-hexahydroxy-5β,20-epoxytax-11-en-9-one (CHEBI:232569) is a oxetanes (CHEBI:38784) |
| 1β,2α,4α,7β,10β,13α-hexahydroxy-5β,20-epoxytax-11-en-9-one (CHEBI:232569) is a secondary α-hydroxy ketone (CHEBI:2468) |
| 1β,2α,4α,7β,10β,13α-hexahydroxy-5β,20-epoxytax-11-en-9-one (CHEBI:232569) is a tetracyclic diterpenoid (CHEBI:52557) |
| UniProt Name | Source |
|---|---|
| 1β,2α,4α,7β,10β,13α-hexahydroxy-5β,20-epoxytax-11-en-9-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-26904 | MetaCyc |
| Citations |
|---|