EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190095 - Pseudobaptigenin 7-O-laminaribioside

ChEBI IDCHEBI:190095
ChEBI NamePseudobaptigenin 7-O-laminaribioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O15
Net Charge0
Average Mass606.533
Monoisotopic Mass606.15847
SMILESO=c1c(-c2ccc3c(c2)OCO3)coc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)C3O)ccc12
InChIInChI=1S/C28H30O15/c29-7-18-21(32)23(34)24(35)27(41-18)43-26-22(33)19(8-30)42-28(25(26)36)40-12-2-3-13-16(6-12)37-9-14(20(13)31)11-1-4-15-17(5-11)39-10-38-15/h1-6,9,18-19,21-30,32-36H,7-8,10H2/t18?,19?,21-,22-,23+,24?,25?,26+,27+,28-/m1/s1
InChIKeyMVXVJUZTOCOJJR-GVNZUPFMSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 1.14.18.1 (tyrosinase) inhibitor  Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals.
ChEBI Ontology
Outgoing Relation(s)
Pseudobaptigenin 7-O-laminaribioside (CHEBI:190095) is a acrovestone (CHEBI:2440)
Pseudobaptigenin 7-O-laminaribioside (CHEBI:190095) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
3-(1,3-benzodioxol-5-yl)-7-[(2S,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24842704ChemSpider
LMPK12050044LIPID MAPS