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(2R,3S)-catechin

PropertiesImage
MNX_IDMNXM734430 Image of MNXM734430
referencechebi:15600
formulaC15H14O6
global charge0
mol weight290.271
InChIKeyPFTAWBLQPZVEMU-DZGCQCFKSA-N
InChIInChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
SMILESOC1=CC2=C(C[C@H](O)[C@@H](C3=CC(O)=C(O)C=C3)O2)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 Image of MNXM734430
SMILES (mnx)[CH:1]1=[CH:2][C:10]([OH:17])=[C:12]([OH:19])[CH:3]=[C:7]1[C@@H:15]1[C@@H:13]([OH:20])[CH2:6][C:9]2=[C:11]([OH:18])[CH:4]=[C:8]([OH:16])[CH:5]=[C:14]2[O:21]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15600
chebi:15600
PFTAWBLQPZVEMU-DZGCQCFKSA-N 		(2R,3S)-catechin
(+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol
(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol
(+)-Catechin
(+)-Catechol
(+)-Cyanidan-3-ol
(+)-catechin
(2R,3S)-(+)-Catechin
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol
(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol
(2R,3S)-Catechin
(2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol
Cianidanol
Cyanidanol
D-Catechin
catechuic acid

lipidmaps:LMPK12020001
lipidmapsM:LMPK12020001
PFTAWBLQPZVEMU-DZGCQCFKSA-N 		(+)-Catechin

sabiork.compound:8730
sabiorkM:8730
PFTAWBLQPZVEMU-DZGCQCFKSA-N 		(+)-Catechin
(2R,3S)-(+)-Catechin
(2R,3S)-Catechin
(2R-trans)- 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol
(2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol
Cianidanol
Cyanidanol
D-Catechin

kegg.compound:C06562
keggC:C06562
PFTAWBLQPZVEMU-DZGCQCFKSA-N 		(+)-Catechin
(2R,3S)-(+)-Catechin
(2R,3S)-Catechin
(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Cianidanol
Cyanidanol
D-Catechin

metacyc.compound:CPD-1961
metacycM:CPD-1961
PFTAWBLQPZVEMU-DZGCQCFKSA-N 		(+)-catechin
(2R,3S)-catechin
2,3-trans-catechin
cianidanol
hmdb:HMDB0002780
PFTAWBLQPZVEMU-DZGCQCFKSA-N 		Catechin
(+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol
(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol
(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol
(+)-Catechin
(+)-Catechin hydrate
(+)-Catechol
(+)-Cianidanol
(+)-Cyanidan-3-ol
(+)-Cyanidanol
(+)-Cyanidanol-3
(+)-catechol
(+/-)-catechin
(+/-)-catechin hydrate
(-)-Epicatechin
(2R,3S)-(+)-Catechin
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
(2R,3S)-Catechin
(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
3,3',4',5,7-Flavanpentol
3-Cyanidanol, (+)-
Acid, catechinic
Acid, catechuic
Biocatechin
Catechinate
Catechinic acid
Catechuate
Catechuic acid
Catergen
Cianidanol
Cianidanolum
Cianidol
Cyanidanol
Cyanidanol 3
Cyanidanol-3
Cyanidol
D-(+)-Catechin
D-Catechin
Dexcyanidanol
Epicatechin
KB 53
KB-53
YK-85 light yellow powder 85
Zyma
trans-(+)-3,3',4',5,7-Flavanpentol
trans3,3,4,5,7 Pentahydroxyflavane

seed.compound:cpd03970
seedM:cpd03970
PFTAWBLQPZVEMU-DZGCQCFKSA-N 		Cianidanol
(+)-Catechin
(+)-catechin
(2R,3S)-(+)-Catechin
(2R,3S)-Catechin
(2R,3S)-catechin
(2R-trans)- 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol
(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
2,3-trans-catechin
Cyanidanol
D-Catechin
cianidanol

hmdb:HMDB02780
chebi:10862
chebi:18
chebi:18443
keggC:M_C06562
seedM:M_cpd03970 		secondary/obsolete/fantasy identifier