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CHEBI:187286 - 7alpha,11alpha-Dihydroxy-4(13),8-coloratadien-12,11-olide

ChEBI IDCHEBI:187286
ChEBI Name7alpha,11alpha-Dihydroxy-4(13),8-coloratadien-12,11-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILES[H][C@@]12C[C@@H](O)C3=C([C@H](O)OC3=O)[C@@]1(C)CC[C@H](C)C2=C
InChIInChI=1S/C15H20O4/c1-7-4-5-15(3)9(8(7)2)6-10(16)11-12(15)14(18)19-13(11)17/h7,9-10,14,16,18H,2,4-6H2,1,3H3/t7-,9-,10+,14+,15-/m0/s1
InChIKeyRKXFCMNFPWEQDW-AKHPIHOKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
7alpha,11alpha-Dihydroxy-4(13),8-coloratadien-12,11-olide (CHEBI:187286) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,4R,5aS,7S,9aS)-1,4-dihydroxy-7,9a-dimethyl-6-methylidene-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-3-one
Manual XrefsDatabases
24846705ChemSpider