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CHEBI:227940 - Allahabadolactone B

ChEBI IDCHEBI:227940
ChEBI NameAllahabadolactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O3
Net Charge0
Average Mass290.403
Monoisotopic Mass290.18819
SMILESC/C=C/C(O)[C@@H]1OC(=O)[C@@]2(C)[C@@H]3CC[C@@H](C)C[C@H]3C=C[C@@H]12
InChIInChI=1S/C18H26O3/c1-4-5-15(19)16-14-9-7-12-10-11(2)6-8-13(12)18(14,3)17(20)21-16/h4-5,7,9,11-16,19H,6,8,10H2,1-3H3/b5-4+/t11-,12-,13-,14+,15?,16-,18+/m1/s1
InChIKeyWSWNVGRIJGDNCP-ORNKWOMESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2015.11.056)
ChEBI Ontology
Outgoing Relation(s)
Allahabadolactone B (CHEBI:227940) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3R,3aR,5aS,7R,9aR,9bS)-3-[(E)-1-hydroxybut-2-enyl]-7,9b-dimethyl-3,3a,5a,6,7,8,9,9a-octahydrobenzo[g][2]benzouran-1-one
Manual XrefsDatabases
78438388ChemSpider