EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188824 - (+)-3-O-feruloylcassine

ChEBI IDCHEBI:188824
ChEBI Name(+)-3-O-feruloylcassine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H43NO5
Net Charge0
Average Mass473.654
Monoisotopic Mass473.31412
SMILESCOc1cc(/C=C/C(=O)O[C@@H]2CC[C@H](CCCCCCCCCCC(C)=O)N[C@@H]2C)ccc1O
InChIInChI=1S/C28H43NO5/c1-21(30)12-10-8-6-4-5-7-9-11-13-24-16-18-26(22(2)29-24)34-28(32)19-15-23-14-17-25(31)27(20-23)33-3/h14-15,17,19-20,22,24,26,29,31H,4-13,16,18H2,1-3H3/b19-15+/t22-,24+,26-/m1/s1
InChIKeySTSLNURRVKPSHZ-VQQILSIJSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(+)-3-O-feruloylcassine (CHEBI:188824) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
[(2R,3R,6S)-2-methyl-6-(11-oxododecyl)piperidin-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
23311513ChemSpider