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CHEBI:214188 - Roridin E

ChEBI IDCHEBI:214188
ChEBI NameRoridin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O8
Net Charge0
Average Mass514.615
Monoisotopic Mass514.25667
SMILESCC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1
InChIInChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1
InChIKeyKEEQQEKLEZRLDS-FLGSVKSYSA-N
Species of MetaboliteComponentSourceComments
Myrotheciumspecies (ncbitaxon:1756106) - PubMed (5498830)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Roridin E (CHEBI:214188) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3R,8R,12E,17R,18E,20Z,24R,25S,26S)-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione
Manual XrefsDatabases
10210055ChemSpider