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CHEBI:221077 - Irlactin A

ChEBI IDCHEBI:221077
ChEBI NameIrlactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O4
Net Charge0
Average Mass282.380
Monoisotopic Mass282.18311
SMILESCO[C@@H]1O[C@H]2C[C@@H]1C(CO)=C1CC(C)(C)C[C@H](O)C12C
InChIInChI=1S/C16H26O4/c1-15(2)6-11-10(8-17)9-5-13(20-14(9)19-4)16(11,3)12(18)7-15/h9,12-14,17-18H,5-8H2,1-4H3/t9-,12+,13+,14-,16?/m1/s1
InChIKeyLQMLAPMGWMVHIT-QXKCWUAKSA-N
Species of MetaboliteComponentSourceComments
Irpex lacteus (ncbitaxon:5319) - DOI (10.1016/j.tetlet.2013.03.038)
ChEBI Ontology
Outgoing Relation(s)
Irlactin A (CHEBI:221077) is a oxolanes (CHEBI:26912)
IUPAC Name 
(1S,3S,9R,10R)-8-(hydroxymethyl)-10-methoxy-2,5,5-trimethyl-11-oxatricyclo[7.2.1.02,7]dodec-7-en-3-ol
Manual XrefsDatabases
78441187ChemSpider