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CHEBI:176059 - Campesteryl caffeate

ChEBI IDCHEBI:176059
ChEBI NameCampesteryl caffeate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H54O4
Net Charge0
Average Mass562.835
Monoisotopic Mass562.40221
SMILESCC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(OC(=O)/C=C\c5ccc(O)c(O)c5)CCC4(C)C3CCC12C
InChIInChI=1S/C37H54O4/c1-23(2)24(3)7-8-25(4)30-13-14-31-29-12-11-27-22-28(17-19-36(27,5)32(29)18-20-37(30,31)6)41-35(40)16-10-26-9-15-33(38)34(39)21-26/h9-11,15-16,21,23-25,28-32,38-39H,7-8,12-14,17-20,22H2,1-6H3/b16-10-
InChIKeyZXDDRZYEBDQKAY-YBEGLDIGSA-N
ChEBI Ontology
Outgoing Relation(s)
Campesteryl caffeate (CHEBI:176059) is a steroid ester (CHEBI:47880)
IUPAC Name 
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0036284HMDB