MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0252803
Properties
Image
Occurences in reactions
MNX_ID
MNXM1313041
#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:...8aed2df067a4
InChIKey
PDBHNVGHUDYTTQ-UHFFFAOYSA-N
InChI
InChI=1S/C41H60O17/c1-17-36(50)24(44)11-31(53-17)57-37-18(2)54-32(12-25(37)45)58-38-26(46)13-33(56-28(38)15-42)55-21-5-6-39(3)20(8-21)9-23(43)35-22(39)10-29(48)40(4)34(19-7-30(49)52-16-19)27(47)14-41(35,40)51/h7,17-18,20-28,31-35,37-38,42-47,51H,5-6,8-16H2,1-4H3
SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(=O)C5(C)C(C6=CC(=O)OC6)C(O)CC45O)OC3CO)OC2C)CC(O)C1=O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
envipath:...8aed2df067a4
envipathM:...8aed2df067a4
compound 0252803