Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

Ejap-2

PropertiesImageOccurences in reactions
MNX_IDMNXM104808Image of MNXM104808
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC28H36O9
charge0
mass516.23593
referencechebi:66832
InChIKeyZFUSDYXRBKYLMJ-WCHYYCAUSA-N
InChIInChI=1S/C28H36O9/c1-16-12-13-22(34-18(3)30)27(15-33-17(2)29)23(36-25(32)20-10-8-7-9-11-20)14-21-24(35-19(4)31)28(16,27)37-26(21,5)6/h7-11,16,21-24H,12-15H2,1-6H3/t16-,21-,22+,23+,24-,27+,28-/m1/s1
SMILESCC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@@H](C)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:66832
chebi:66832 		Ejap-2
(1S,2R,5S,6S,7S,9R,12R)-5,12-Diacetoxy-6-(acetoxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-7-yl benzoate
1beta-6alpha-15-triacetoxy-9alpha-benzoyloxy-dihydro-beta-agarofuran