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CHEBI:73220 - arabidopside B

ChEBI IDCHEBI:73220
ChEBI Namearabidopside B
Stars
DefinitionAn arabidopside in which the glyceride moiety is acylated by cis-12-oxophytodienoyl groups at positions 1 and 2, and in which the and in which the carbohydrate moiety is a β-D-galactopyranosyl group. The cyclopentenone moiety of both acyl groups is cis-disubstituted.
Last Modified19 April 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC45H70O12
Net Charge0
Average Mass803.043
Monoisotopic Mass802.48673
SMILESCC/C=C\CC1C(=O)C=CC1CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCC1C=CC(=O)C1C/C=C\CC
InChIInChI=1S/C45H70O12/c1-3-5-13-21-35-32(25-27-37(35)47)19-15-9-7-11-17-23-40(49)54-30-34(31-55-45-44(53)43(52)42(51)39(29-46)57-45)56-41(50)24-18-12-8-10-16-20-33-26-28-38(48)36(33)22-14-6-4-2/h5-6,13-14,25-28,32-36,39,42-46,51-53H,3-4,7-12,15-24,29-31H2,1-2H3/b13-5-,14-6-/t32?,33?,34-,35?,36?,39-,42+,43+,44-,45-/m1/s1
InChIKeySYJOSMLJXIQXFJ-BIZWRPQDSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
arabidopside B (CHEBI:73220) is a 1,2-diacyl-3-β-D-galactosyl-sn-glycerol (CHEBI:17615)
arabidopside B (CHEBI:73220) is a arabidopside (CHEBI:73153)
arabidopside B (CHEBI:73220) is a diester (CHEBI:51307)
arabidopside B (CHEBI:73220) is a β-D-galactoside (CHEBI:28034)
Registry NumbersSources
Reaxys:21245874Reaxys
Reaxys:9609172Reaxys
Reaxys:11143745Reaxys
Citations