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CHEBI:203794 - Albatrelin A

ChEBI IDCHEBI:203794
ChEBI NameAlbatrelin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O4
Net Charge0
Average Mass386.532
Monoisotopic Mass386.24571
SMILESCOC(=O)c1c(O)cc(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1C
InChIInChI=1S/C24H34O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-20-19(5)23(24(27)28-6)22(26)15-21(20)25/h9,11,13,15,25-26H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+
InChIKeyXISGBSYLXCXJCJ-OUBUNXTGSA-N
Species of MetaboliteComponentSourceComments
Albatrellus ovinus (ncbitaxon:139090) - PubMed (23305465)
ChEBI Ontology
Outgoing Relation(s)
Albatrelin A (CHEBI:203794) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl 4,6-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoate
Manual XrefsDatabases
28536084ChemSpider