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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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ginsenoside C-Mx1
Properties
Image
Occurences in reactions
MNX_ID
MNXM148259
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
0
formula
C
47
H
80
O
17
charge
0
mass
916.53955
reference
metacycM:CPD-15461
InChIKey
ZTQSADJAYQOCDD-HUGMCNGHSA-N
InChI
InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)33(52)26(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,44-,45+,46+,47-/m0/s1
SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-15461
metacycM:CPD-15461
seed.compound:cpd34192
seedM:cpd34192
ginsenoside C-Mx1
seedM:M_cpd34192
secondary/obsolete/fantasy identifier