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CHEBI:208576 - Libertalide A

ChEBI IDCHEBI:208576
ChEBI NameLibertalide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O5
Net Charge0
Average Mass324.417
Monoisotopic Mass324.19367
SMILESCC(=O)OCCC(=O)[C@]1(C)[C@H]2CC[C@@](C)(O)C[C@@H]2C=C[C@@]1(C)O
InChIInChI=1S/C18H28O5/c1-12(19)23-10-7-15(20)18(4)14-6-8-16(2,21)11-13(14)5-9-17(18,3)22/h5,9,13-14,21-22H,6-8,10-11H2,1-4H3/t13-,14-,16+,17+,18-/m0/s1
InChIKeyBGIMHGNGLYDQMW-TVNOUSRMSA-N
ChEBI Ontology
Outgoing Relation(s)
Libertalide A (CHEBI:208576) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
[3-[(1R,2R,4aR,6R,8aS)-2,6-dihydroxy-1,2,6-trimethyl-5,7,8,8a-tetrahydro-4aH-naphthalen-1-yl]-3-oxopropyl] acetate
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78439027ChemSpider