CHEBI:67450 - ananolignan M

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ChEBI Name ananolignan M
ChEBI ID CHEBI:67450
Definition A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H40O10
Net Charge 0
Average Mass 584.65400
Monoisotopic Mass 584.26215
InChI InChI=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
InChIKey BEKCLGHIGPWWEG-KDTPNPLXSA-N
SMILES COc1cc2[C@H](OC(=O)C(\C)=C/C)[C@@H](C)[C@@H](C)[C@@H](OC(=O)C(C)C)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC
Metabolite of Species Details
Kadsura ananosma (NCBI:txid133441) Found in seed (BTO:0001226). 70% aqueous acetone extract of air-dried and powdered seeds, biphenyl configuration is S See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
21534268 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381710 PubMed citation Europe PMC
Last Modified
09 January 2014