EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226632 - 17-bromo-30-methyloscillatoxin D

ChEBI IDCHEBI:226632
ChEBI Name17-bromo-30-methyloscillatoxin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H43BrO8
Net Charge0
Average Mass635.592
Monoisotopic Mass634.21413
SMILESCO[C@@H](CC[C@H](C)[C@H]1O[C@@]2(C=C[C@@H]1C)[C@H](C(=O)O[C@@H]1CC(=O)O[C@@H]1C)C(=O)[C@H](C)CC2(C)C)c1cc(O)ccc1Br
InChIInChI=1S/C32H43BrO8/c1-17(8-11-24(38-7)22-14-21(34)9-10-23(22)33)29-18(2)12-13-32(41-29)27(28(36)19(3)16-31(32,5)6)30(37)40-25-15-26(35)39-20(25)4/h9-10,12-14,17-20,24-25,27,29,34H,8,11,15-16H2,1-7H3/t17-,18-,19+,20+,24-,25+,27-,29+,32-/m0/s1
InChIKeyUVDRDDDMNZUIPA-MWUWZEHCSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - DOI (10.1016/j.tet.2019.03.020)
ChEBI Ontology
Outgoing Relation(s)
17-bromo-30-methyloscillatoxin D (CHEBI:226632) is a benzyl ether (CHEBI:59859)
IUPAC Name 
[(2R,3R)-2-methyl-5-oxooxolan-3-yl] (2R,3S,6S,7S,9R)-2-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate
Manual XrefsDatabases
73930331ChemSpider