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Pectenotoxin 2

PropertiesImageOccurences in reactions
MNX_IDMNXM1108454Image of MNXM1108454
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC47H70O14
charge0
mass858.47656
referenceseedM:cpd21251
InChIKeyPTKFEDGHUVZLPL-SZJGAMBISA-N
InChIInChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21?/t27-,28+,29+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40-,42+,43-,44+,45+,46-,47+/m0/s1
SMILESCC1=C[C@H](C)C[C@@]2(C)CC[C@@H](O2)[C@@]23CC[C@@](C)(C[C@@H](O2)[C@H]2O[C@](C)(CC2=O)[C@@H](O)[C@@H]2CC[C@@]4(CCC[C@H](O4)[C@@H](C)C(=O)O[C@@H]4C[C@@H]([C@@]5(O)OCC[C@@H](C)[C@H]5O)O[C@@H]4/C=C/1)O2)O3
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd21251
seedM:cpd21251
Pectenotoxin 2
43-Deoxypectenotoxin 1
PTX 2
seedM:M_cpd21251 secondary/obsolete/fantasy identifier