CHEBI:132381 - 2-O-deacetyleuonine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-O-deacetyleuonine
ChEBI ID CHEBI:132381
ChEBI ASCII Name 2-O-deacetyleuonine
Definition A dihydroagarofuran sesquiterpenoid with formula C36H45NO17 that is isolated from the root bark of Tripterygium hypoglaucum.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C36H45NO17
Net Charge 0
Average Mass 763.740
Monoisotopic Mass 763.26875
InChI InChI=1S/C36H45NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-26(49-18(3)39)30(52-21(6)42)35(15-47-17(2)38)29(51-20(5)41)25(43)28(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24-30,43,46H,11-12,14-15H2,1-8H3/t16-,24+,25-,26+,27+,28-,29-,30+,33-,34-,35-,36-/m0/s1
InChIKey XQFNOBWSYMSZPY-AMLILWTLSA-N
SMILES [C@@H]1([C@H]([C@@]2([C@@H](OC(=O)C)[C@H]([C@]3([C@](O)([C@]42[C@H](OC(=O)C)[C@]1([H])[C@@](COC(C5=C(CC[C@@H](C(O3)=O)C)N=CC=C5)=O)(C)O4)C)[H])O)COC(=O)C)OC(=O)C)OC(C)=O
Metabolite of Species Details
Tripterygium hypoglaucum (NCBI:txid205465) Found in root (BTO:0001188). From root bark 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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-O-deacetyleuonine (CHEBI:132381) has role plant metabolite (CHEBI:76924)
2-O-deacetyleuonine (CHEBI:132381) is a acetate ester (CHEBI:47622)
2-O-deacetyleuonine (CHEBI:132381) is a bridged compound (CHEBI:35990)
2-O-deacetyleuonine (CHEBI:132381) is a dihydroagarofuran sesquiterpenoid (CHEBI:71548)
2-O-deacetyleuonine (CHEBI:132381) is a macrolide (CHEBI:25106)
2-O-deacetyleuonine (CHEBI:132381) is a pyridine alkaloid (CHEBI:26416)
2-O-deacetyleuonine (CHEBI:132381) is a sesquiterpene alkaloid (CHEBI:26657)
Synonyms Sources
2-deacetyleuonine ChEBI
2-deacetylwilformine ChEBI
Manual Xref Database
C00041262 KNApSAcK
View more database links
Registry Numbers Types Sources
147362-40-1 CAS Registry Number KNApSAcK
18610564 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16933883 PubMed citation Europe PMC
23252270 PubMed citation Europe PMC
Last Modified
28 October 2016