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CHEBI:186854 - Sigmoidin D

ChEBI IDCHEBI:186854
ChEBI NameSigmoidin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O7
Net Charge0
Average Mass372.373
Monoisotopic Mass372.12090
SMILESCC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2C[C@@H]1O
InChIInChI=1S/C20H20O7/c1-20(2)17(25)5-10-3-9(4-14(24)19(10)27-20)15-8-13(23)18-12(22)6-11(21)7-16(18)26-15/h3-4,6-7,15,17,21-22,24-25H,5,8H2,1-2H3/t15-,17-/m0/s1
InChIKeyASQDBJSRWIDYKK-RDJZCZTQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Sigmoidin D (CHEBI:186854) is a flavanones (CHEBI:28863)
IUPAC Name 
(2S)-2-[(3S)-3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
114575ChemSpider
Registry NumbersSources
CAS:106533-44-2ChemIDplus