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CHEBI:203347 - Albatrelin F

ChEBI IDCHEBI:203347
ChEBI NameAlbatrelin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H58O6
Net Charge0
Average Mass682.942
Monoisotopic Mass682.42334
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC12C(=O)C=C(C)C(=O)C1(O)Oc1c3c(c(O)c(C)c12)O[C@](C)(CC/C=C(\C)CCC=C(C)C)C=C3
InChIInChI=1S/C44H58O6/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-26-43-36(45)27-33(8)41(47)44(43,48)50-39-35-23-25-42(10,49-40(35)38(46)34(9)37(39)43)24-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-23,25,27,46,48H,11-14,17-18,20,24,26H2,1-10H3/b30-19+,31-21+,32-22+/t42-,43?,44?/m1/s1
InChIKeyBIIBZAQPPUWOPA-NGFJZNNZSA-N
Species of MetaboliteComponentSourceComments
Albatrellus ovinus (ncbitaxon:139090) - PubMed (23305465)
ChEBI Ontology
Outgoing Relation(s)
Albatrelin F (CHEBI:203347) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5,10a-dihydroxy-3,6,9-trimethyl-6b-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[1]benzouro[2,3-]chromene-7,10-dione
Manual XrefsDatabases
29417225ChemSpider