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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Euphorbiaproliferin E
Properties
Image
Occurences in reactions
MNX_ID
MNXM105026
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
40
H
44
O
13
charge
0
mass
732.27819
reference
chebi:69716
InChIKey
XUCRDWQKBZSMQZ-KWSBIESESA-N
InChI
InChI=1S/C40H44O13/c1-20-17-40(47)28(29(20)49-21(2)41)33(50-22(3)42)39-19-48-38(6,36(40)52-35(46)25-15-11-8-12-16-25)31(39)27-26(18-37(27,5)53-23(4)43)30(32(39)44)51-34(45)24-13-9-7-10-14-24/h7-16,20,26-31,33,36,47H,17-19H2,1-6H3/t20-,26+,27-,28+,29-,30+,31-,33+,36-,37-,38+,39-,40+/m0/s1
SMILES
CC(=O)O[C@H]1[C@@H](C)C[C@@]2(O)[C@H]1[C@@H](OC(C)=O)[C@@]13CO[C@](C)([C@@H]1[C@@H]1[C@@H](C[C@]1(C)OC(C)=O)[C@@H](OC(=O)c1ccccc1)C3=O)[C@@H]2OC(=O)c1ccccc1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:69716
chebi:69716
Euphorbiaproliferin E
3beta,5alpha,10beta-tri-O-acetyl-8beta,14beta-di-O-benzoylcyclomyrsinol