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CHEBI:188956 - Prunin 3'',6''-di-p-coumarate

ChEBI IDCHEBI:188956
ChEBI NamePrunin 3'',6''-di-p-coumarate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H34O14
Net Charge0
Average Mass726.687
Monoisotopic Mass726.19486
SMILESO=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CC3=O)C(O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O
InChIInChI=1S/C39H34O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)38(53-34(46)16-6-22-3-11-25(41)12-4-22)37(48)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-18,30,32,36-43,47-48H,19-20H2/b15-5+,16-6+/t30?,32?,36-,37?,38+,39-/m1/s1
InChIKeyYHSNRKOEKHUGSK-VFHDUFKDSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus Aureus (ncbitaxon:1280) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3859)
ChEBI Ontology
Outgoing Relation(s)
Prunin 3'',6''-di-p-coumarate (CHEBI:188956) is a flavonoids (CHEBI:72544)
Prunin 3'',6''-di-p-coumarate (CHEBI:188956) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4S,6S)-3,5-dihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
24846364ChemSpider
LMPK12140247LIPID MAPS