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CHEBI:190366 - Suillin

ChEBI IDCHEBI:190366
ChEBI NameSuillin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O4
Net Charge0
Average Mass440.624
Monoisotopic Mass440.29266
SMILESCC(=O)Oc1ccc(O)c(O)c1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-27(32-24(6)29)19-18-26(30)28(25)31/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+
InChIKeyTVYGOMSIBBSIKO-MLAGYPMBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Suillin (CHEBI:190366) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[3,4-dihydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl] acetate
Manual XrefsDatabases
4534053ChemSpider
Registry NumbersSources
CAS:103538-03-0ChemIDplus