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CHEBI:199327 - Allahabadolactone A

ChEBI IDCHEBI:199327
ChEBI NameAllahabadolactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O3
Net Charge0
Average Mass290.403
Monoisotopic Mass290.18819
SMILESC[C@@H]1CC[C@@H]2[C@H](C=C[C@H]3[C@H](/C=C/[C@H](C)O)OC(=O)[C@@]23C)C1
InChIInChI=1S/C18H26O3/c1-11-4-7-14-13(10-11)6-8-15-16(9-5-12(2)19)21-17(20)18(14,15)3/h5-6,8-9,11-16,19H,4,7,10H2,1-3H3/b9-5+/t11-,12+,13-,14-,15+,16+,18+/m1/s1
InChIKeyCSAGVVBUHTWIPE-QMRAWZHHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2015.11.056)
ChEBI Ontology
Outgoing Relation(s)
Allahabadolactone A (CHEBI:199327) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3S,3aR,5aS,7R,9aR,9bS)-3-[(E,3S)-3-hydroxybut-1-enyl]-7,9b-dimethyl-3,3a,5a,6,7,8,9,9a-octahydrobenzo[g][2]benzouran-1-one
Manual XrefsDatabases
78436489ChemSpider