MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0262468
Properties
Image
Occurences in reactions
MNX_ID
MNXM1162055
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
41
H
64
O
17
charge
0
mass
828.41435
reference
envipathM:...c3e9163ede6a
InChIKey
NNYOLLXGTHEXBG-UHFFFAOYSA-N
InChI
InChI=1S/C41H64O17/c1-19-33(47)25(42)14-31(53-19)57-35-21(3)55-32(16-27(35)44)58-34-20(2)54-30(15-26(34)43)56-24-7-8-36(4)22(12-24)6-9-40(50)39(49)11-10-38(48,23-13-29(46)52-18-23)37(39,5)28(45)17-41(36,40)51/h19-25,27-28,30-35,42,44-45,47-51H,6-18H2,1-5H3
SMILES
CC1OC(OC2CCC3(C)C(CCC4(O)C3(O)CC(O)C3(C)C(O)(C5COC(=O)C5)CCC43O)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:...c3e9163ede6a
envipathM:...c3e9163ede6a
compound 0262468