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CHEBI:67626 - (−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol
| Formula | C22H26O7 |
| Net Charge | 0 |
| Average Mass | 402.443 |
| Monoisotopic Mass | 402.16785 |
| SMILES | COc1cc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2CO)cc(OC)c1OC |
| InChI | InChI=1S/C22H26O7/c1-25-17-9-13(6-5-7-23)8-15-16(12-24)20(29-21(15)17)14-10-18(26-2)22(28-4)19(11-14)27-3/h5-6,8-11,16,20,23-24H,7,12H2,1-4H3/b6-5+/t16-,20+/m1/s1 |
| InChIKey | DKHAWRPWAKXFNA-MGSHXDRLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sinocalamus affinis (IPNI:421970-1) | stem (BTO:0001300) | PubMed (21469695) | 95% Ethanolic extract of skin-removed, air-dried, powdered stems. |
| 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) |
| (−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol (CHEBI:67626) has role plant metabolite (CHEBI:76924) |
| (−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol (CHEBI:67626) is a benzofurans (CHEBI:35259) |
| (−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol (CHEBI:67626) is a methoxybenzenes (CHEBI:51683) |
| (−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol (CHEBI:67626) is a neolignan (CHEBI:25497) |
| (−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol (CHEBI:67626) is a primary alcohol (CHEBI:15734) |
| IUPAC Name |
|---|
| (2E)-3-[(2R,3S)-3-(hydroxymethyl)-7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-ol |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7394089 | Reaxys |
| Citations |
|---|