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CHEBI:207386 - 8-Acetoxyroridin E

ChEBI IDCHEBI:207386
ChEBI Name8-Acetoxyroridin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H40O10
Net Charge0
Average Mass572.651
Monoisotopic Mass572.26215
SMILESCC(=O)O[C@H]1C[C@@]23COC(=O)/C=C(/C)CCO[C@@H]([C@@H](C)O)C=C/C=C\C(=O)O[C@@H]4C[C@@H](O[C@@H]2C=C1C)C1(CO1)[C@]43C
InChIInChI=1S/C31H40O10/c1-18-10-11-36-22(20(3)32)8-6-7-9-27(34)41-24-14-26-31(17-38-31)29(24,5)30(16-37-28(35)12-18)15-23(39-21(4)33)19(2)13-25(30)40-26/h6-9,12-13,20,22-26,32H,10-11,14-17H2,1-5H3/b8-6?,9-7-,18-12-/t20-,22-,23+,24-,25-,26-,29-,30-,31?/m1/s1
InChIKeyBMAGQNXTRVVGHR-ZZBGYAMSSA-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 E (CHEBI:207386) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1R,3R,6S,8R,12Z,17R,20Z,24R,25S)-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethyl-11,22-dioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-6-yl] acetate