MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0245803
Properties
Image
Occurences in reactions
MNX_ID
MNXM1319203
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
41
H
62
O
17
charge
0
mass
826.3987
reference
envipathM:...3d66c9c7e2cd
InChIKey
BEDNRULLZFZFIA-UHFFFAOYSA-N
InChI
InChI=1S/C41H62O17/c1-17-34(48)24(42)12-31(52-17)57-36-19(3)54-32(14-26(36)44)58-35-18(2)53-30(13-25(35)43)55-20-6-8-38(4)23-11-28(46)39(5)22(21-10-29(47)56-37(21)49)7-9-41(39,51)33(23)27(45)16-40(38,50)15-20/h10,17-20,22-27,30-37,42-45,48-51H,6-9,11-16H2,1-5H3
SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(=O)C7(C)C(C8=CC(=O)OC8O)CCC7(O)C6C(O)CC5(O)C4)OC3C)OC2C)CC(O)C1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...3d66c9c7e2cd
envipathM:...3d66c9c7e2cd
compound 0245803