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CHEBI:220513 - BE-40644

ChEBI IDCHEBI:220513
ChEBI NameBE-40644
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)OC3=C(C[C@@H]21)C(=O)C=C(CO)C3=O
InChIInChI=1S/C22H30O4/c1-20(2)7-5-8-21(3)16(20)6-9-22(4)17(21)11-14-15(24)10-13(12-23)18(25)19(14)26-22/h10,16-17,23H,5-9,11-12H2,1-4H3/t16-,17+,21-,22-/m1/s1
InChIKeyJJCFWPNMYFMHEH-WOSNLTMFSA-N
Species of MetaboliteComponentSourceComments
Actinoplanesspecies A40644 (ncbitaxon:236489) - PubMed (8626250)
ChEBI Ontology
Outgoing Relation(s)
BE-40644 (CHEBI:220513) is a organic heterotricyclic compound (CHEBI:26979)
BE-40644 (CHEBI:220513) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4aR,6aR,12aS,12bR)-9-(hydroxymethyl)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthene-8,11-dione
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8060828ChemSpider