EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221609 - Oscillatoxin G

ChEBI IDCHEBI:221609
ChEBI NameOscillatoxin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H45BrO8
Net Charge0
Average Mass649.619
Monoisotopic Mass648.22978
SMILESCO[C@@H](CC[C@H](C)[C@H]1OC2=C(C(=CC(=O)O[C@@H]3CC(=O)O[C@@H]3C)[C@H](C)CC2(C)C)[C@H](OC)[C@@H]1C)c1cc(O)ccc1Br
InChIInChI=1S/C33H45BrO8/c1-17(9-12-25(38-7)23-13-21(35)10-11-24(23)34)30-19(3)31(39-8)29-22(18(2)16-33(5,6)32(29)42-30)14-27(36)41-26-15-28(37)40-20(26)4/h10-11,13-14,17-20,25-26,30-31,35H,9,12,15-16H2,1-8H3/t17-,18+,19+,20+,25-,26+,30+,31+/m0/s1
InChIKeySXZAPDMYMYDYSU-FJLWJIJPSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (31234410)
ChEBI Ontology
Outgoing Relation(s)
Oscillatoxin G (CHEBI:221609) is a benzopyran (CHEBI:22727)
IUPAC Name 
[(2R,3R)-2-methyl-5-oxooxolan-3-yl] 2-[(2R,3R,4R,6R)-2-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-4-methoxy-3,6,8,8-tetramethyl-3,4,6,7-tetrahydro-2H-chromen-5-ylidene]acetate