MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0253381
Properties
Image
Occurences in reactions
MNX_ID
MNXM1150323
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
41
H
61
O
17
charge
-1
mass
825.39142
reference
envipathM:...ed16f5864055
InChIKey
IMCSLNJYOUOUDJ-UHFFFAOYSA-M
InChI
InChI=1S/C41H62O17/c1-18-35(49)26(43)12-32(53-18)57-37-20(3)55-33(14-28(37)45)58-36-19(2)54-31(13-27(36)44)56-23-8-9-39(4)22(11-23)6-7-24-25(39)17-52-38(50)40(5)34(21(16-42)10-30(47)48)29(46)15-41(24,40)51/h10,18-20,22-26,28-29,31-37,42-43,45-46,49,51H,6-9,11-17H2,1-5H3,(H,47,48)/p-1
SMILES
CC1OC(OC2CCC3(C)C(CCC4C3COC(=O)C3(C)C(C(=CC(=O)[O-])CO)C(O)CC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...ed16f5864055
envipathM:...ed16f5864055
compound 0253381