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baicalin

MNXM2502 is deprecated and here replaced by MNXM733020
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM733020 Image of MNXM733020
referencechebi:61283
formulaC21H17O11
global charge-1
mol weight445.356
InChIKeyIKIIZLYTISPENI-ZFORQUDYSA-M
InChIInChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/p-1/t16-,17-,18+,19-,21+/m0/s1
SMILESO=C1C=C(C2=CC=CC=C2)OC2=C1C(O)=C(O)C(O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)=C2
MNX internals
InChI (mnx)InChI=1/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 Image of MNXM733020
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([C:10]2=[CH:6][C:9](=[O:22])[C:13]3=[C:11]([CH:7]=[C:12]([O:31][C@H:21]4[C@H:18]([OH:27])[C@@H:16]([OH:25])[C@H:17]([OH:26])[C@@H:19]([C:20](=[O:28])[OH:29])[O:32]4)[C:14]([OH:23])=[C:15]3[OH:24])[O:30]2)[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61283
chebi:61283
IKIIZLYTISPENI-ZFORQUDYSA-M 		baicalin
5,6,7-trihydroxyflavone 7-O-beta-D-glucuronate
5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate
5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronate
baicalein 7-O-beta-D-glucuronate
baicalin(1-)
hmdb:HMDB0041832
IKIIZLYTISPENI-ZFORQUDYSA-M 		Baicalin
(2S,3S,4S,5R,6R)-6-[(5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
(2S,3S,4S,5R,6R)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-[(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
5,6,7-Trihydroxyflavone 7-O-beta-D-glucuronide
5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
7-D-Glucuronic acid-5,6-dihydroxyflavone
Baicalein 7-O-glucuronide

seed.compound:cpd06915
seedM:cpd06915
IKIIZLYTISPENI-ZFORQUDYSA-M 		Baicalin
5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate
5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
7-D-glucuronic acid-5,6-dihydroxyflavone
Baicalein 7-O-glucuronide
baicalein 7-O-glucuronide
baicalin

sabiork.compound:12110
sabiorkM:12110
kegg.compound:C10025
keggC:C10025
IKIIZLYTISPENI-ZFORQUDYSA-N 		Baicalin
Baicalein 7-O-glucuronide

lipidmaps:LMPK12111081
lipidmapsM:LMPK12111081
IKIIZLYTISPENI-ZFORQUDYSA-N 		Baicalin
Baicalein 7-glucuronide

reactome:R-ALL-9732981
reactomeM:R-ALL-9732981
CHEBI:2981
chebi:2981
IKIIZLYTISPENI-ZFORQUDYSA-N 		baicalin
5,6,7-trihydroxyflavone 7-O-beta-D-glucuronide
5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
7-D-glucuronic acid-5,6-dihydroxyflavone
Baicalin
baicalein 7-O-glucuronide
baicalein 7-glucuronide

metacyc.compound:CPD-12725
metacycM:CPD-12725
IKIIZLYTISPENI-ZFORQUDYSA-M 		baicalin
5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate
5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
7-D-glucuronic acid-5,6-dihydroxyflavone
baicalein 7-O-glucuronide

hmdb:HMDB41832
keggC:M_C10025
seedM:M_cpd06915 		secondary/obsolete/fantasy identifier