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CHEBI:3443 - caryoptin
| Formula | C26H36O9 |
| Net Charge | 0 |
| Average Mass | 492.565 |
| Monoisotopic Mass | 492.23593 |
| SMILES | [H][C@]12OC=C[C@@]1([H])C[C@]([H])([C@]1(C)[C@@H](C)C[C@@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@]1([H])CC[C@H](OC(C)=O)[C@]31CO1)O2 |
| InChI | InChI=1S/C26H36O9/c1-14-10-22(34-17(4)29)25(12-31-15(2)27)19(6-7-20(33-16(3)28)26(25)13-32-26)24(14,5)21-11-18-8-9-30-23(18)35-21/h8-9,14,18-23H,6-7,10-13H2,1-5H3/t14-,18-,19-,20-,21+,22+,23+,24+,25+,26+/m0/s1 |
| InChIKey | QVORLEZTALRJNW-JYGGJEPESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Caryopteris divaricata (ncbitaxon:54463) | - | DOI (10.1016/S0040-4039(01)92000-3) |
| 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) |
| caryoptin (CHEBI:3443) has role plant metabolite (CHEBI:76924) |
| caryoptin (CHEBI:3443) is a acetate ester (CHEBI:47622) |
| caryoptin (CHEBI:3443) is a cyclic acetal (CHEBI:59770) |
| caryoptin (CHEBI:3443) is a diterpenoid (CHEBI:23849) |
| caryoptin (CHEBI:3443) is a furofuran (CHEBI:47790) |
| caryoptin (CHEBI:3443) is a spiro-epoxide (CHEBI:133131) |
| IUPAC Name |
|---|
| (1R,2S,4aS,5R,6S,8R,8aS)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-[(2R,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-2H-spiro[naphthalene-1,2'-oxirane]-2,8-diyl diacetate |