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19-bromoaplysiatoxin

PropertiesImageOccurences in reactions
MNX_IDMNXM33801Image of MNXM33801
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC32H46Br2O10
charge0
mass748.14577
referencechebi:80717
InChIKeyPIULICRFTROOFA-IPNHEGHDSA-N
InChIInChI=1S/C32H46Br2O10/c1-16(8-9-24(40-7)20-10-23(36)22(34)11-21(20)33)29-18(3)26-14-32(43-29)30(5,6)13-17(2)31(39,44-32)15-28(38)41-25(19(4)35)12-27(37)42-26/h10-11,16-19,24-26,29,35-36,39H,8-9,12-15H2,1-7H3/t16-,17+,18-,19+,24-,25+,26?,29+,31-,32-/m0/s1
SMILESCO[C@@H](CC[C@H](C)[C@H]1O[C@@]23CC(OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cc(O)c(Br)cc1Br
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:80717
chebi:80717 		19-bromoaplysiatoxin
(1S,3R,4S,9R,13S,14R)-3-[(2S,5S)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1(1,5)]octadecane-7,11-dione
seed.compound:cpd17112
seedM:cpd17112
kegg.compound:C16770
keggC:C16770 		19-Bromoaplysiatoxin
keggC:M_C16770
seedM:M_cpd17112 		secondary/obsolete/fantasy identifier