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CHEBI:191850 - Crocin 4

ChEBI IDCHEBI:191850
ChEBI NameCrocin 4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O9
Net Charge0
Average Mass504.576
Monoisotopic Mass504.23593
SMILESCOC(=O)/C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C27H36O9/c1-17(12-8-14-19(3)25(32)34-5)10-6-7-11-18(2)13-9-15-20(4)26(33)36-27-24(31)23(30)22(29)21(16-28)35-27/h6-15,21-24,27-31H,16H2,1-5H3/b7-6+,12-8+,13-9+,17-10+,18-11-,19-14-,20-15+
InChIKeyATQIQIBBBWQWOT-QNFREAFUSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Crocin 4 (CHEBI:191850) is a diterpenoid (CHEBI:23849)
IUPAC Name 
1-O-methyl 16-O-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Manual XrefsDatabases
HMDB0039122HMDB