MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0250351
Properties
Image
Occurences in reactions
MNX_ID
MNXM1158013
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
41
H
60
O
17
charge
0
mass
824.38305
reference
envipathM:...43489c711bef
InChIKey
FXFRLILNJOKRFG-UHFFFAOYSA-N
InChI
InChI=1S/C41H60O17/c1-18-34(48)24(42)12-32(53-18)57-36-20(3)55-33(14-26(36)44)58-35-19(2)54-31(13-25(35)43)56-22-6-7-37(4)23(11-22)27(45)16-40(50)28(37)15-29(46)38(5)39(49,8-9-41(38,40)51)21-10-30(47)52-17-21/h10,18-20,22-23,25-26,28-29,31-36,43-44,46,48-51H,6-9,11-17H2,1-5H3
SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(=O)CC4(O)C5CC(O)C5(C)C(O)(C6=CC(=O)OC6)CCC45O)OC3C)OC2C)CC(=O)C1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...43489c711bef
envipathM:...43489c711bef
compound 0250351