MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0242012
Properties
Image
Occurences in reactions
MNX_ID
MNXM1296164
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
41
H
60
O
16
charge
0
mass
808.38814
reference
envipathM:...37f294bb3526
InChIKey
NWURBQSWCQMVQV-UHFFFAOYSA-N
InChI
InChI=1S/C41H60O16/c1-18-37(56-34-15-29(46)38(19(2)53-34)57-35-13-27(44)36(49)30(16-42)55-35)28(45)14-33(52-18)54-21-5-7-39(3)23-12-31(47)40(4)22(20-9-32(48)51-17-20)6-8-41(40,50)24(23)11-26(43)25(39)10-21/h9,18-19,21-28,30,33-38,42-45,49-50H,5-8,10-17H2,1-4H3
SMILES
CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)C(O)CC3C4CC(=O)C4(C)C(C5=CC(=O)OC5)CCC34O)OC2C)CC(=O)C1OC1CC(O)C(O)C(CO)O1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...37f294bb3526
envipathM:...37f294bb3526
compound 0242012