EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67450 - ananolignan M

ChEBI IDCHEBI:67450
ChEBI Nameananolignan M
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Last Modified9 January 2014
DownloadsMolfile
FormulaC32H40O10
Net Charge0
Average Mass584.662
Monoisotopic Mass584.26215
SMILESC/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)C(C)C)[C@H](C)[C@@H]1C
InChIInChI=1S/C32H40O10/c1-11-16(4)32(34)42-26-18(6)17(5)25(41-31(33)15(2)3)20-13-22-28(40-14-39-22)30(38-10)24(20)23-19(26)12-21(35-7)27(36-8)29(23)37-9/h11-13,15,17-18,25-26H,14H2,1-10H3/b16-11-/t17-,18+,25-,26-/m1/s1
InChIKeyBEKCLGHIGPWWEG-KDTPNPLXSA-N
Species of MetaboliteComponentSourceComments
Kadsura ananosma (ncbitaxon:133441) seed (BTO:0001226) PubMed (21381710) 70% aqueous acetone extract of air-dried and powdered seeds, biphenyl configuration is S
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)
ananolignan M (CHEBI:67450) has functional parent angelic acid (CHEBI:36431)
ananolignan M (CHEBI:67450) has role plant metabolite (CHEBI:76924)
ananolignan M (CHEBI:67450) is a aromatic ether (CHEBI:35618)
ananolignan M (CHEBI:67450) is a enoate ester (CHEBI:51702)
ananolignan M (CHEBI:67450) is a lignan (CHEBI:25036)
ananolignan M (CHEBI:67450) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan M (CHEBI:67450) is a oxacycle (CHEBI:38104)
IUPAC Name 
(5R,6S,7R,8R)-8-(isobutyryloxy)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2Z)-2-methylbut-2-enoate
Registry NumbersSources
Reaxys:21534268Reaxys
Citations