MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0112348
Properties
Image
Occurences in reactions
MNX_ID
MNXM1305038
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
54
H
92
O
10
charge
0
mass
900.66905
reference
envipathM:...f4995f179984
InChIKey
HKAZOCPIJXMGBQ-UHFFFAOYSA-N
InChI
InChI=1S/C54H92O10/c1-4-7-10-12-13-14-15-16-17-18-19-20-26-34-41-54(59)62-45(43-60-52(57)39-32-27-21-24-30-37-49-48(63-49)36-29-23-11-8-5-2)44-61-53(58)40-33-28-22-25-31-38-50-51(64-50)42-47(56)46(55)35-9-6-3/h12-13,15-16,23,29,45-46,48-51,55H,4-11,14,17-22,24-28,30-44H2,1-3H3
SMILES
CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1CC(=O)C(O)CCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...f4995f179984
envipathM:...f4995f179984
compound 0112348