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CHEBI:191699 - alpha-Crocetin glucosyl ester

ChEBI IDCHEBI:191699
ChEBI Namealpha-Crocetin glucosyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O9
Net Charge0
Average Mass490.549
Monoisotopic Mass490.22028
SMILESCC(=C/C=C/C=C(C)/C=C/C=C(/C)C(=O)O)/C=C/C=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10-,18-13-,19-14+
InChIKeyZVGODNZUEWDIPM-VOQICLRJSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
alpha-Crocetin glucosyl ester (CHEBI:191699) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid
Manual XrefsDatabases
HMDB0039120HMDB