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CHEBI:190375 - calicoferol E

ChEBI IDCHEBI:190375
ChEBI Namecalicoferol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O2
Net Charge0
Average Mass398.631
Monoisotopic Mass398.31848
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CCC(=O)[C@H]2CCc1cc(O)ccc1C
InChIInChI=1S/C27H42O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-25,28H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,27-/m1/s1
InChIKeyOZROZYIBIZOAQQ-DLBXBJKMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
calicoferol E (CHEBI:190375) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3aS,4S,7aR)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
Manual XrefsDatabases
LMST03020157LIPID MAPS
4446776ChemSpider