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CHEBI:65835 - 2β-methoxy-2-deethoxyphantomolin
| Formula | C20H24O6 |
| Net Charge | 0 |
| Average Mass | 360.406 |
| Monoisotopic Mass | 360.15729 |
| SMILES | [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](OC(=O)C(=C)C)C/C(C)=C/[C@@]1(OC)C=C(C)[C@]2([H])O1 |
| InChI | InChI=1S/C20H24O6/c1-10(2)18(21)24-14-7-11(3)8-20(23-6)9-12(4)16(26-20)17-15(14)13(5)19(22)25-17/h8-9,14-17H,1,5,7H2,2-4,6H3/b11-8+/t14-,15+,16-,17-,20-/m0/s1 |
| InChIKey | CSIBMGLPBAXXSG-FWTBDAJASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Elephantopus mollis (ncbitaxon:318057) | |||
| stem (BTO:0001300) | PubMed (18239317) | ||
| root (BTO:0001188) | PubMed (18239317) |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) has role antineoplastic agent (CHEBI:35610) |
| 2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) has role metabolite (CHEBI:25212) |
| 2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) is a cyclic ether (CHEBI:37407) |
| 2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) is a enoate ester (CHEBI:51702) |
| 2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) is a germacranolide (CHEBI:73011) |
| 2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (3aR,4S,6E,8S,11S,11aS)-8-methoxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,11,11a-octahydro-8,11-epoxycyclodeca[b]furan-4-yl 2-methylprop-2-enoate |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9875998 | Reaxys |
| Citations |
|---|