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CHEBI:5536 - Granilin

ChEBI IDCHEBI:5536
ChEBI NameGranilin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILES[H][C@@]12C[C@@]3(C)[C@H](O)C[C@H](O)C(=C)[C@]3([H])C[C@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C15H20O4/c1-7-9-4-10-8(2)11(16)5-13(17)15(10,3)6-12(9)19-14(7)18/h9-13,16-17H,1-2,4-6H2,3H3/t9-,10+,11+,12-,13-,15-/m1/s1
InChIKeyZEIYNPAINVEWGP-NQHOMTGGSA-N
ChEBI Ontology
Outgoing Relation(s)
Granilin (CHEBI:5536) is a eudesmane sesquiterpenoid (CHEBI:62508)
Synonym  Source
GranilinKEGG COMPOUND
Manual XrefsDatabases
C09470KEGG COMPOUND
C00003296KNApSAcK
Registry NumbersSources
CAS:40737-97-1KEGG COMPOUND