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CHEBI:132792 - lactiflorin
| Formula | C23H26O10 |
| Net Charge | 0 |
| Average Mass | 462.451 |
| Monoisotopic Mass | 462.15260 |
| SMILES | [H][C@@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])O[C@@]1(C)O[C@]3([H])CC(=O)[C@]4([H])C[C@@]1(O2)[C@]34COC(=O)c1ccccc1 |
| InChI | InChI=1S/C23H26O10/c1-21-23(33-20-18(32-21)17(27)16(26)14(9-24)30-20)8-12-13(25)7-15(31-21)22(12,23)10-29-19(28)11-5-3-2-4-6-11/h2-6,12,14-18,20,24,26-27H,7-10H2,1H3/t12-,14+,15+,16+,17-,18+,20-,21+,22-,23-/m0/s1 |
| InChIKey | AGRYIZUKIKYUFX-DNITZUGTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Paeonia anomala (ncbitaxon:40698) | - | PubMed (22190295) | |
| Paeonia lactiflora (ncbitaxon:35924) | root (BTO:0001188) | PubMed (22190295) | |
| Paeonia sinjiangensis (ncbitaxon:69719) | root (BTO:0001188) | PubMed (15506284) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lactiflorin (CHEBI:132792) has role plant metabolite (CHEBI:76924) |
| lactiflorin (CHEBI:132792) is a benzoate ester (CHEBI:36054) |
| lactiflorin (CHEBI:132792) is a bridged compound (CHEBI:35990) |
| lactiflorin (CHEBI:132792) is a cyclic ketal (CHEBI:59779) |
| lactiflorin (CHEBI:132792) is a cyclic ketone (CHEBI:3992) |
| lactiflorin (CHEBI:132792) is a organic heteropentacyclic compound (CHEBI:38164) |
| IUPAC Name |
|---|
| [(2aR,3aR,4aR,5S,6S,7R,8aS,9aR,10aR,10bR)-5,6-dihydroxy-7-(hydroxymethyl)-3a-methyl-1-oxooctahydro-3aH,5H-3,4,8,9-tetraoxacyclobuta[1,6]pentaleno[1,2-b]naphthalen-10b(1H)-yl]methyl benzoate |
| Synonym | Source |
|---|---|
| (+)-lactiflorin | ChEBI |
| Citations |
|---|