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Biflorin

PropertiesImage
MNX_IDMNXM44264 Image of MNXM44264
referencechebi:3094
formulaC16H18O9
global charge0
mol weight354.311
InChIKeyXTZWWMZDVUKEDJ-SPEJKDPOSA-N
InChIInChI=1S/C16H18O9/c1-5-2-6(18)10-8(24-5)3-7(19)11(13(10)21)16-15(23)14(22)12(20)9(4-17)25-16/h2-3,9,12,14-17,19-23H,4H2,1H3/t9-,12-,14+,15-,16+/m1/s1
SMILESCC1=CC(=O)C2=C(C=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2O)O1
MNX internals
InChI (mnx)InChI=1/C16H18O9/c1-5-2-6(18)10-8(24-5)3-7(19)11(13(10)21)16-15(23)14(22)12(20)9(4-17)25-16/h2-3,9,12,14-17,19-23H,4H2,1H3/t9-,12-,14+,15-,16+/m1/s1 Image of MNXM44264
SMILES (mnx)[CH3:1][C:5]1=[CH:2][C:6](=[O:18])[C:10]2=[C:8]([CH:3]=[C:7]([OH:19])[C:11]([C@H:16]3[C@H:15]([OH:23])[C@@H:14]([OH:22])[C@H:12]([OH:20])[C@@H:9]([CH2:4][OH:17])[O:25]3)=[C:13]2[OH:21])[O:24]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd05892
seedM:cpd05892
CHEBI:3094
chebi:3094
kegg.compound:C08996
keggC:C08996
XTZWWMZDVUKEDJ-SPEJKDPOSA-M
XTZWWMZDVUKEDJ-SPEJKDPOSA-N 		Biflorin
hmdb:HMDB0002336
XTZWWMZDVUKEDJ-SPEJKDPOSA-N 		Biflorin
5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
6,9-Dimethyl-3-(4-methyl-3-pentenyl)naphtho(1,8-BC)pyran-7,8-dione
6beta-C-Glucopyranosyl-5,7-dihydroxy-2-methylchromone
biflorin

hmdb:HMDB02336
keggC:M_C08996
seedM:M_cpd05892 		secondary/obsolete/fantasy identifier