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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Quercetin 3-laminaribioside
Properties
Image
Occurences in reactions
MNX_ID
MNXM160718
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
27
H
30
O
17
charge
0
mass
626.1483
reference
lipidmapsM:LMPK12112095
InChIKey
RAMYMBNTEMMDSX-JMUSCENWSA-N
InChI
InChI=1S/C27H30O17/c28-6-14-17(34)20(37)21(38)26(41-14)43-24-18(35)15(7-29)42-27(22(24)39)44-25-19(36)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,24,26-35,37-39H,6-7H2/t14?,15?,17-,18-,20?,21-,22?,24?,26+,27+/m1/s1
SMILES
O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O[C@@H]3OC(CO)[C@@H](O)C(O)[C@H]3O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
lipidmaps:LMPK12112095
lipidmapsM:LMPK12112095
Quercetin 3-laminaribioside