EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216272 - TM-125

ChEBI IDCHEBI:216272
ChEBI NameTM-125
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILESC=C/C=C/C/C(C)=C\C=C\[C@H](C)[C@@H](O)[C@H](C)c1cc(O)c(C)c(=O)o1
InChIInChI=1S/C21H28O4/c1-6-7-8-10-14(2)11-9-12-15(3)20(23)17(5)19-13-18(22)16(4)21(24)25-19/h6-9,11-13,15,17,20,22-23H,1,10H2,2-5H3/b8-7+,12-9+,14-11-/t15-,17+,20+/m0/s1
InChIKeyPMPNODWLPJTRNO-JBHPKMMWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (33284588)
ChEBI Ontology
Outgoing Relation(s)
TM-125 (CHEBI:216272) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
4-hydroxy-6-[(2S,3R,4S,5E,7Z,10E)-3-hydroxy-4,8-dimethyltrideca-5,7,10,12-tetraen-2-yl]-3-methylpyran-2-one