MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0250524
Properties
Image
Occurences in reactions
MNX_ID
MNXM1219568
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
41
H
62
O
18
charge
0
mass
842.39362
reference
envipathM:...f5c889947e21
InChIKey
UPSFZJGSHBQJPK-UHFFFAOYSA-N
InChI
InChI=1S/C41H62O18/c1-18-36(58-34-11-24(44)35(50)27(15-42)56-34)25(45)12-32(54-18)59-37-26(46)13-33(57-28(37)16-43)55-21-6-7-38(2)19(8-21)4-5-22-23(38)10-29(47)39(3)40(22,51)14-30(48)41(39,52)20-9-31(49)53-17-20/h9,16,18-19,21-30,32-37,42,44-48,50-52H,4-8,10-15,17H2,1-3H3
SMILES
CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C5(O)CC(O)C4(O)C4=CC(=O)OC4)C3)OC2C=O)CC(O)C1OC1CC(O)C(O)C(CO)O1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...f5c889947e21
envipathM:...f5c889947e21
compound 0250524