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CHEBI:198985 - 8-Acetoxyroridin H

ChEBI IDCHEBI:198985
ChEBI Name8-Acetoxyroridin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O10
Net Charge0
Average Mass570.635
Monoisotopic Mass570.24650
SMILESCC(=O)O[C@H]1C[C@@]23COC(=O)/C=C(/C)C[C@@H]4O[C@@H](C)[C@H](/C=C\C=C/C(=O)O[C@@H]5C[C@@H](O[C@@H]2C=C1C)C1(CO1)[C@]53C)O4
InChIInChI=1S/C31H38O10/c1-17-10-27(34)35-15-30-14-22(38-20(4)32)18(2)12-24(30)40-25-13-23(29(30,5)31(25)16-36-31)41-26(33)9-7-6-8-21-19(3)37-28(11-17)39-21/h6-10,12,19,21-25,28H,11,13-16H2,1-5H3/b8-6-,9-7-,17-10-/t19-,21-,22-,23+,24+,25+,28+,29+,30+,31?/m0/s1
InChIKeyVSOQGZVTMDLALA-ZPWPPZFYSA-N
Species of MetaboliteComponentSourceComments
Myrotheciumspecies (ncbitaxon:1756106) - PubMed (11513043)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
8-Acetoxyroridin H (CHEBI:198985) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1R,3R,6S,8R,12Z,15R,17S,18S,19Z,21Z,25R,26S)-5,13,17,26-tetramethyl-11,23-dioxospiro[2,10,16,24,29-pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa-4,12,19,21-tetraene-27,2'-oxirane]-6-yl] acetate