EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210167 - Mer-A2026B

ChEBI IDCHEBI:210167
ChEBI NameMer-A2026B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO3
Net Charge0
Average Mass385.548
Monoisotopic Mass385.26169
SMILESC/C=C(\C)C(O)C(C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)cc(=O)c1C
InChIInChI=1S/C24H35NO3/c1-8-18(4)24(27)19(5)14-17(3)11-9-10-16(2)12-13-21-20(6)22(26)15-23(25-21)28-7/h8-9,11-12,14-15,19,24,27H,10,13H2,1-7H3,(H,25,26)/b11-9+,16-12+,17-14+,18-8+
InChIKeyRESCEXRHBPSAAM-AUTRRBDOSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (7706135)
ChEBI Ontology
Outgoing Relation(s)
Mer-A2026B (CHEBI:210167) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-6-methoxy-3-methyl-1H-pyridin-4-one
Manual XrefsDatabases
8127714ChemSpider