MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0258762
Properties
Image
Occurences in reactions
MNX_ID
MNXM1305029
#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:...843c80bc112c
InChIKey
LNUKCVVVWAWTEM-UHFFFAOYSA-M
InChI
InChI=1S/C41H62O17/c1-18-36(51)26(44)13-34(53-18)58-38-28(46)15-35(56-29(38)17-43)57-37-19(2)54-33(14-27(37)45)55-22-10-21-5-6-24-25(39(21,3)30(47)11-22)12-31(48)40(4)23(7-8-41(24,40)52)20(16-42)9-32(49)50/h9,18-19,21-25,27-29,31,33-38,42-43,45-46,48,51-52H,5-8,10-17H2,1-4H3,(H,49,50)/p-1
SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)C5(C)C(CCC6C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2CO)CC(=O)C1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...843c80bc112c
envipathM:...843c80bc112c
compound 0258762