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CHEBI:227019 - 3-methoxydebromoaplysiatoxin

ChEBI IDCHEBI:227019
ChEBI Name3-methoxydebromoaplysiatoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O10
Net Charge0
Average Mass606.753
Monoisotopic Mass606.34040
SMILESCO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](OC)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1
InChIInChI=1S/C33H50O10/c1-19(12-13-25(38-7)23-10-9-11-24(35)14-23)30-21(3)27-17-33(42-30)31(5,6)16-20(2)32(39-8,43-33)18-29(37)40-26(22(4)34)15-28(36)41-27/h9-11,14,19-22,25-27,30,34-35H,12-13,15-18H2,1-8H3/t19-,20+,21-,22+,25-,26+,27-,30+,32-,33-/m0/s1
InChIKeyQMLZCOSZAXKRTJ-UYVXPFFSSA-N
Species of MetaboliteComponentSourceComments
Trichodesmium erythraeum (ncbitaxon:1206) - PubMed (24394406)
ChEBI Ontology
Outgoing Relation(s)
3-methoxydebromoaplysiatoxin (CHEBI:227019) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3R,4S,5S,9R,13S,14R)-9-[(1R)-1-hydroxyethyl]-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-13-methoxy-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione
Manual XrefsDatabases
32674736ChemSpider