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CHEBI:186084 - AL 8810 methyl ester

Default Structure
ChEBI IDCHEBI:186084
ChEBI NameAL 8810 methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33FO4
Net Charge0
Average Mass416.533
Monoisotopic Mass416.23629
SMILESCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O
InChIInChI=1S/C25H33FO4/c1-30-25(29)11-5-3-2-4-10-21-20(22(26)16-24(21)28)12-13-23(27)19-14-17-8-6-7-9-18(17)15-19/h2,4,6-9,12-13,19-24,27-28H,3,5,10-11,14-16H2,1H3/b4-2-,13-12+/t20-,21-,22+,23+,24+/m1/s1
InChIKeySUQUNXDCROKALM-ZOXVUOEWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
AL 8810 methyl ester (CHEBI:186084) is a indanes (CHEBI:46940)
IUPAC Name 
methyl (Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-luoro-5-hydroxycyclopentyl]hept-5-enoate
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