EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189745 - curcumin glucuronide

ChEBI IDCHEBI:189745
ChEBI Namecurcumin glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O12
Net Charge0
Average Mass544.509
Monoisotopic Mass544.15808
SMILESCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O
InChIInChI=1S/C27H28O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h3-12,22-25,27,30-33H,13H2,1-2H3,(H,34,35)/b7-3+,8-4+/t22-,23-,24+,25-,27+/m0/s1
InChIKeyBNSAVBGHRVFVNN-XSCLDSQRSA-N
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)
curcumin glucuronide (CHEBI:189745) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
34989363ChemSpider
Registry NumbersSources
CAS:227466-72-0ChemIDplus