MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0240748
Properties
Image
Occurences in reactions
MNX_ID
MNXM1166477
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
41
H
63
O
17
charge
-1
mass
827.40707
reference
envipathM:...b0df142a4413
InChIKey
RZDGBBIQODDMGF-UHFFFAOYSA-M
InChI
InChI=1S/C41H64O17/c1-19-35(57-33-15-27(44)36(20(2)53-33)58-34-17-31(48)56-37(49)21(3)54-34)26(43)14-32(52-19)55-24-7-9-38(4)23(13-24)6-10-40(50)28(38)16-29(45)39(5)25(8-11-41(39,40)51)22(18-42)12-30(46)47/h12,19-21,23-29,32-37,42-45,49-51H,6-11,13-18H2,1-5H3,(H,46,47)/p-1
SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C)CC(=O)OC1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...b0df142a4413
envipathM:...b0df142a4413
compound 0240748