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CHEBI:202741 - Nebularic acid B

ChEBI IDCHEBI:202741
ChEBI NameNebularic acid B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC(=O)[C@]1(C(=O)O)O[C@@H]12
InChIInChI=1S/C14H20O4/c1-12(2)5-4-6-13(3)8(12)7-9(15)14(11(16)17)10(13)18-14/h8,10H,4-7H2,1-3H3,(H,16,17)/t8-,10+,13-,14-/m0/s1
InChIKeyAEPZLWFMQFYXES-HNGHSSNUSA-N
Species of MetaboliteComponentSourceComments
Clitocybe nebularis (ncbitaxon:117024) - DOI (10.1002/ejoc.200500869)
ChEBI Ontology
Outgoing Relation(s)
Nebularic acid B (CHEBI:202741) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1aR,3aS,7aS,7bR)-4,4,7a-trimethyl-2-oxo-3,3a,5,6,7,7b-hexahydronaphtho[1,2-b]oxirene-1a-carboxylic acid
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