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Bergenin

PropertiesImage
MNX_IDMNXM103046 Image of MNXM103046
referencechebi:69499
formulaC14H16O9
global charge0
mol weight328.273
InChIKeyYWJXCIXBAKGUKZ-HJJNZUOJSA-N
InChIInChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
SMILESCOC1=C(O)C2=C(C=C1O)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]21
MNX internals
InChI (mnx)InChI=1/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1 Image of MNXM103046
SMILES (mnx)[CH3:1][O:21][C:11]1=[C:5]([OH:16])[CH:2]=[C:4]2[C:7](=[C:9]1[OH:18])[C@H:12]1[C@@H:13]([C@@H:10]([OH:19])[C@H:8]([OH:17])[C@@H:6]([CH2:3][OH:15])[O:22]1)[O:23][C:14]2=[O:20]
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

CHEBI:69499
chebi:69499
YWJXCIXBAKGUKZ-HJJNZUOJSA-N 		Bergenin
(2R,3S,4S,4aR,10bS)-3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one
Cuscutin

seed.compound:cpd06809
seedM:cpd06809
kegg.compound:C09919
keggC:C09919
YWJXCIXBAKGUKZ-HJJNZUOJSA-N 		Bergenin

kegg.drug:D01040
keggD:D01040
YWJXCIXBAKGUKZ-HJJNZUOJSA-N 		Bergenin (JAN)

chebi:3069
keggC:M_C09919
keggD:M_D01040
seedM:M_cpd06809 		secondary/obsolete/fantasy identifier