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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Kaempferol 7,4'-dimethyl ether 3-neohesperidoside
Properties
Image
Occurences in reactions
MNX_ID
MNXM58861
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
29
H
34
O
15
charge
0
mass
622.18977
reference
lipidmapsM:LMPK12112593
InChIKey
JIKPQXBHZBMAEG-NDOMXZFKSA-N
InChI
InChI=1S/C29H34O15/c1-11-19(32)22(35)24(37)28(40-11)44-27-23(36)20(33)17(10-30)42-29(27)43-26-21(34)18-15(31)8-14(39-3)9-16(18)41-25(26)12-4-6-13(38-2)7-5-12/h4-9,11,17,19-20,22-24,27-33,35-37H,10H2,1-3H3/t11?,17?,19-,20+,22?,23-,24-,27?,28-,29-/m0/s1
SMILES
COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)cc1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
lipidmaps:LMPK12112593
lipidmapsM:LMPK12112593
Kaempferol 7,4'-dimethyl ether 3-neohesperidoside