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CHEBI:9136 - Shiromodiol diacetate

ChEBI IDCHEBI:9136
ChEBI NameShiromodiol diacetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H30O5
Net Charge0
Average Mass338.444
Monoisotopic Mass338.20932
SMILESCC(=O)O[C@@H]1[C@H](C(C)C)[C@@H](OC(C)=O)C/C(C)=C/CC[C@]2(C)O[C@@H]12
InChIInChI=1S/C19H30O5/c1-11(2)16-15(22-13(4)20)10-12(3)8-7-9-19(6)18(24-19)17(16)23-14(5)21/h8,11,15-18H,7,9-10H2,1-6H3/b12-8+/t15-,16+,17+,18-,19-/m0/s1
InChIKeyDRGFRBPYLMWXJS-RUQCQGRMSA-N
ChEBI Ontology
Outgoing Relation(s)
Shiromodiol diacetate (CHEBI:9136) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
Shiromodiol diacetateKEGG COMPOUND
Manual XrefsDatabases
C09725KEGG COMPOUND
C00003187KNApSAcK
Registry NumbersSources
CAS:130695-59-9KEGG COMPOUND
CAS:20071-58-3KEGG COMPOUND