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CHEBI:184442 - (+)-Blennin D

ChEBI IDCHEBI:184442
ChEBI Name(+)-Blennin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILES[H][C@]12COC(=O)C1=C[C@H](C)[C@@]1(O)CC(C)(C)CC1[C@@H]2O
InChIInChI=1S/C15H22O4/c1-8-4-9-10(6-19-13(9)17)12(16)11-5-14(2,3)7-15(8,11)18/h4,8,10-12,16,18H,5-7H2,1-3H3/t8-,10-,11?,12+,15-/m0/s1
InChIKeyVQGAZALZDFKYPA-VEYXKJRFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(+)-Blennin D (CHEBI:184442) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5S,5aS,9R,9aR)-5a,9-dihydroxy-5,7,7-trimethyl-5,6,8,8a,9,9a-hexahydro-1H-azuleno[5,6-c]uran-3-one
Manual XrefsDatabases
24846727ChemSpider