CHEBI:83849 - dalcochinin-8'-O-β-D-glucoside

ChEBI IDCHEBI:83849
ChEBI Namedalcochinin-8'-O-β-D-glucoside
Stars
ASCII Namedalcochinin-8'-O-beta-D-glucoside
DefinitionAn organic heteropentacyclic compound that is the 8'-O-β-D-glucoside of dalcochinin.
Last Modified6 February 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC29H34O12
Net Charge0
Average Mass574.579
Monoisotopic Mass574.20503
SMILES[H][C@@]12COc3cc(OC)c(OC)cc3[C@]1([H])[C@@H](O)c1ccc3c(c1O2)C[C@H](C(=C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O3
InChIInChI=1S/C29H34O12/c1-12(10-38-29-27(34)26(33)25(32)21(9-30)41-29)17-7-15-16(39-17)5-4-13-24(31)23-14-6-19(35-2)20(36-3)8-18(14)37-11-22(23)40-28(13)15/h4-6,8,17,21-27,29-34H,1,7,9-11H2,2-3H3/t17-,21-,22-,23+,24+,25-,26+,27-,29-/m1/s1
InChIKeyYRUIPRJNLCHFCW-BZSZILPBSA-N
Species of MetaboliteComponentSourceComments
Dalbergia cochinchinensis (ncbitaxon:106130) seed (BTO:0001226) DOI (doi:10.1016/S0031-9422(98)00552-4)
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)
dalcochinin-8'-O-β-D-glucoside (CHEBI:83849) has role plant metabolite (CHEBI:76924)
dalcochinin-8'-O-β-D-glucoside (CHEBI:83849) is a aromatic ether (CHEBI:35618)
dalcochinin-8'-O-β-D-glucoside (CHEBI:83849) is a olefinic compound (CHEBI:78840)
dalcochinin-8'-O-β-D-glucoside (CHEBI:83849) is a organic heteropentacyclic compound (CHEBI:38164)
dalcochinin-8'-O-β-D-glucoside (CHEBI:83849) is a oxacycle (CHEBI:38104)
dalcochinin-8'-O-β-D-glucoside (CHEBI:83849) is a secondary alcohol (CHEBI:35681)
dalcochinin-8'-O-β-D-glucoside (CHEBI:83849) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2-[(2R,6R,6aR,12aS)-6-hydroxy-8,9-dimethoxy-1,2,6,6a,12,12a-hexahydrochromeno[3,4-b]furo[2,3-h]chromen-2-yl]prop-2-en-1-yl β-D-glucopyranoside
Synonym  Source
Dalcochinin O-glucosideKNApSAcK
Manual XrefsDatabases
C00018877KNApSAcK
CPD-9677MetaCyc
Registry NumbersSources
Reaxys:8246981Reaxys