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Isohomohalichondrin B

PropertiesImageOccurences in reactions
MNX_IDMNXM1103630Image of MNXM1103630
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC61H86O19
charge0
mass1122.57633
referencekeggC:C16881
InChIKeyWVWWZNXKZNACRW-CVINHSFQSA-N
InChIInChI=1S/C61H86O19/c1-27-15-34-7-9-38-28(2)16-36(66-38)11-13-59-25-47-55(79-59)56-57(73-47)58(80-59)54-39(70-56)10-8-35(68-54)18-49(65)74-53-32(6)52-44(69-43(53)20-40(67-34)31(27)5)21-42-46(72-52)24-61(75-42)26-48-51(78-61)30(4)23-60(77-48)22-29(3)50-45(76-60)19-37(64)41(71-50)17-33(63)12-14-62/h27,29-30,32,34-48,50-58,62,64H,2,5,7-26H2,1,3-4,6H3/t27-,29+,30+,32+,34+,35-,36+,37-,38+,39+,40-,41-,42-,43+,44+,45+,46-,47+,48+,50+,51+,52+,53-,54+,55+,56+,57-,58+,59+,60-,61+/m1/s1
SMILESC=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)O[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H]1C[C@H]2O[C@@]4(C[C@@H]5O[C@]6(C[C@H](C)[C@@H]7O[C@H](CC(=O)CCO)[C@H](O)C[C@@H]7O6)C[C@H](C)[C@@H]5O4)C[C@H]2O[C@H]1[C@@H]3C
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Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd19210
seedM:cpd19210
kegg.compound:C16881
keggC:C16881
Isohomohalichondrin B
IHB
keggC:M_C16881
seedM:M_cpd19210
secondary/obsolete/fantasy identifier