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CHEBI:67622 - (+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol

ChEBI IDCHEBI:67622
ChEBI Name(+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol
Stars
ASCII Name(+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol
DefinitionA lignan isolated from the stems of Sinocalamus affinis.
Last Modified6 October 2014
DownloadsMolfile
FormulaC22H26O8
Net Charge0
Average Mass418.442
Monoisotopic Mass418.16277
SMILES[H][C@]12COc3cc(OC)c(O)c(OC)c3[C@]([H])(c3c(cc(OC)c(O)c3OC)C1)[C@]2([H])CO
InChIInChI=1S/C22H26O8/c1-26-14-6-10-5-11-9-30-13-7-15(27-2)20(25)22(29-4)18(13)17(12(11)8-23)16(10)21(28-3)19(14)24/h6-7,11-12,17,23-25H,5,8-9H2,1-4H3/t11-,12-,17+/m1/s1
InChIKeyVCZWWJGHKZTTAS-QFSBIZTOSA-N
Species of MetaboliteComponentSourceComments
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)
(+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol (CHEBI:67622) has role plant metabolite (CHEBI:76924)
(+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol (CHEBI:67622) is a aromatic ether (CHEBI:35618)
(+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol (CHEBI:67622) is a lignan (CHEBI:25036)
(+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol (CHEBI:67622) is a polyphenol (CHEBI:26195)
(+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol (CHEBI:67622) is a primary alcohol (CHEBI:15734)
IUPAC Name 
(7S,13S,14S)-14-(hydroxymethyl)-1,3,10,12-tetramethoxy-6,7,8,13-tetrahydro-7,13-methanodibenzo[b,e]oxonine-2,11-diol
Registry NumbersSources
Reaxys:21559776Reaxys
Citations