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

PropertiesImage
MNX_IDMNXM3639 Image of MNXM3639
referencechebi:6417
formulaC15H14O8
global charge0
mol weight322.269
InChIKeyZEACOKJOQLAYTD-SOUVJXGZSA-N
InChIInChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14-,15+/m0/s1
SMILESOC1=CC2=C(C(O)=C1)[C@H](O)[C@H](O)[C@@H](C1=CC(O)=C(O)C(O)=C1)O2
MNX internals
InChI (mnx)InChI=1/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14-,15+/m0/s1 Image of MNXM3639
SMILES (mnx)[CH:1]1=[C:5]([C@@H:15]2[C@@H:14]([OH:22])[C@@H:13]([OH:21])[C:11]3=[C:7]([OH:17])[CH:3]=[C:6]([OH:16])[CH:4]=[C:10]3[O:23]2)[CH:2]=[C:9]([OH:19])[C:12]([OH:20])=[C:8]1[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:6417
chebi:6417
ZEACOKJOQLAYTD-SOUVJXGZSA-N 		(2R,3S,4S)-leucodelphinidin
(2R,3S)-gallocatechin-4beta-ol
(2R,3S,4S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
(2R,3S,4S)-2-(3,4,5-trihydroxyphenyl)chroman-3,4,5,7-tetrol
(2R,3S,4S)-3,3',4,4',5,5',7-heptahydroxyflavan
(2R,3S,4S)-3,4,5,7,3',4',5'-heptahydroxyflavan
Leucodelphinidin

metacyc.compound:CPD-7088
metacycM:CPD-7088
ZEACOKJOQLAYTD-SOUVJXGZSA-N 		(2R,3S,4S)-leucodelphinidin
(2R,3S,4S)-leucodelfinidin
(2R,3S,4S)-leucoefdin

lipidmaps:LMPK12020209
lipidmapsM:LMPK12020209
ZEACOKJOQLAYTD-SOUVJXGZSA-N 		Gallocatechin-4beta-ol
3,4,5,7,3',4',5'-Heptahydroxyflavan
Leuco-delphinidin

kegg.compound:C05909
keggC:C05909
vmhM:leudelphdn
vmhmetabolite:leudelphdn
ZEACOKJOQLAYTD-SOUVJXGZSA-N 		Leucodelphinidin

seed.compound:cpd03506
seedM:cpd03506
ZEACOKJOQLAYTD-SOUVJXGZSA-N 		Leucodelphinidin
(2R,3S,4S)-leucodelfinidin
(2R,3S,4S)-leucodelphinidin
(2R,3S,4S)-leucoefdin
leucodelfinidin
leucodelphinidin
leucoefdin

keggC:M_C05909
seedM:M_cpd03506
vmhM:M_leudelphdn 		secondary/obsolete/fantasy identifier