MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0278034
Properties
Image
Occurences in reactions
MNX_ID
MNXM1305011
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
41
H
62
O
16
charge
0
mass
810.40379
reference
envipathM:...a7d68b506337
InChIKey
RDYLZVMFOGJJBM-UHFFFAOYSA-N
InChI
InChI=1S/C41H62O16/c1-18-36(49)26(43)13-33(52-18)56-38-20(3)54-34(15-28(38)45)57-37-19(2)53-32(14-27(37)44)55-23-9-10-39(5)22(11-23)7-8-24-25(39)12-31(48)40(6)35(29(46)16-41(24,40)50)30(47)17-51-21(4)42/h18-20,22-26,28-29,32-38,43,45-46,49-50H,7-17H2,1-6H3
SMILES
CC(=O)OCC(=O)C1C(O)CC2(O)C3CCC4CC(OC5CC(=O)C(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(=O)C12C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...a7d68b506337
envipathM:...a7d68b506337
compound 0278034