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Sulfurein

PropertiesImage
MNX_IDMNXM21923 Image of MNXM21923
referencechebi:191902
formulaC21H20O10
global charge0
mol weight432.381
InChIKeyMEHCTOVFPFJFEW-LTEMJKMTSA-N
InChIInChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-10-2-3-11-14(7-10)30-15(17(11)25)6-9-1-4-12(23)13(24)5-9/h1-7,16,18-24,26-28H,8H2/b15-6-/t16-,18-,19+,20-,21-/m1/s1
SMILESO=C1C2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2O/C1=C\C1=CC(O)=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-10-2-3-11-14(7-10)30-15(17(11)25)6-9-1-4-12(23)13(24)5-9/h1-7,16,18-24,26-28H,8H2/b15-6-/t16-,18-,19+,20-,21-/m1/s1 Image of MNXM21923
SMILES (mnx)[CH:1]1=[CH:4][C:12]([OH:23])=[C:13]([OH:24])[CH:5]=[C:9]1/[CH:6]=[C:15]1/[C:17](=[O:25])[C:11]2=[C:14]([CH:7]=[C:10]([O:29][C@H:21]3[C@H:20]([OH:28])[C@@H:19]([OH:27])[C@H:18]([OH:26])[C@@H:16]([CH2:8][OH:22])[O:31]3)[CH:2]=[CH:3]2)[O:30]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:191902
chebi:191902
MEHCTOVFPFJFEW-LTEMJKMTSA-N 		Sulfurein
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzouran-3-one

metacyc.compound:CPD-7392
metacycM:CPD-7392
seed.compound:cpd24779
seedM:cpd24779
MEHCTOVFPFJFEW-LTEMJKMTSA-N 		sulfuretin 6-glucoside

seedM:M_cpd24779 		secondary/obsolete/fantasy identifier