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(2R,3S,4S)-leucocyanidin

MNXM1162 is deprecated and here replaced by MNXM727079
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727079 Image of MNXM727079
referencechebi:11412
formulaC15H14O7
global charge0
mol weight306.27
InChIKeySBZWTSHAFILOTE-SOUVJXGZSA-N
InChIInChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15+/m0/s1
SMILESOC1=CC(O)=C2C(=C1)O[C@H](C1=CC(O)=C(O)C=C1)[C@@H](O)[C@H]2O
MNX internals
InChI (mnx)InChI=1/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15+/m0/s1 Image of MNXM727079
SMILES (mnx)[CH:1]1=[CH:2][C:8]([OH:17])=[C:9]([OH:18])[CH:3]=[C:6]1[C@@H:15]1[C@@H:14]([OH:21])[C@@H:13]([OH:20])[C:12]2=[C:10]([OH:19])[CH:4]=[C:7]([OH:16])[CH:5]=[C:11]2[O:22]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:11412
chebi:11412
SBZWTSHAFILOTE-SOUVJXGZSA-N 		(2R,3S,4S)-leucocyanidin
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
2,3-trans-3,4-cis-Leucocyanidin
2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
2r-(3,4-dihydroxyphenyl)chromane-3t,4t,5,7-tetrol
3,3',4,4',5,7-Flavanhexol
3,4-Cyanidiol
Leucoanthocyanidol
Leucocianidol
Leucocyanidol
Leukocyanidine
Procyanidol
Resivit

metacyc.compound:CPD-590
metacycM:CPD-590
SBZWTSHAFILOTE-SOUVJXGZSA-N 		(2R,3S,4S)-leucocyanidin
2,3-trans-3,4-cis-leucocyanidin

lipidmaps:LMPK12020203
lipidmapsM:LMPK12020203
SBZWTSHAFILOTE-SOUVJXGZSA-N 		Catechin-4beta-ol

kegg.drug:D08112
keggD:D08112
SBZWTSHAFILOTE-SOUVJXGZSA-N 		Leucocianidol (INN)
Flavan (TN)

vmhM:leucyan
vmhmetabolite:leucyan
SBZWTSHAFILOTE-SOUVJXGZSA-N 		Leucocyanidin

kegg.compound:C05906
keggC:C05906
SBZWTSHAFILOTE-SOUVJXGZSA-N 		Leucocyanidin
2,3-trans-3,4-cis-Leucocyanidin
2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
3,3',4,4',5,7-Flavanhexol
3,4-Cyanidiol
Leucoanthocyanidol
Leucocianidol
Leucocyanidol
Leukocyanidine
Procyanidol
Resivit

seed.compound:cpd03503
seedM:cpd03503
SBZWTSHAFILOTE-SOUVJXGZSA-N 		Resivit
(2R,3S,4S)-leucocyanidin
2,3-trans-3,4-cis-Leucocyanidin
2,3-trans-3,4-cis-leucocyanidin
2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
3,3',4,4',5,7-Flavanhexol
3,4-Cyanidiol
Leucoanthocyanidol
Leucocianidol
Leucocyanidin
Leucocyanidol
Leukocyanidine
Procyanidol
leucocyanidin

keggC:M_C05906
keggD:M_D08112
seedM:M_cpd03503
vmhM:M_leucyan 		secondary/obsolete/fantasy identifier