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CHEBI:207072 - Roridoxin C

ChEBI IDCHEBI:207072
ChEBI NameRoridoxin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O12
Net Charge0
Average Mass590.622
Monoisotopic Mass590.23633
SMILESCO[C@@]12CC/C=C\C(=O)O[C@@H]3C[C@H]4O[C@@H]5C=C(C)[C@@H](OC(C)=O)C[C@]5(COC(=O)[C@H]5O[C@]5(CCO1)[C@H]2O)[C@]3(C)[C@]41CO1
InChIInChI=1S/C30H38O12/c1-16-11-20-27(13-18(16)39-17(2)31)14-36-24(33)23-28(42-23)9-10-37-30(35-4,25(28)34)8-6-5-7-22(32)41-19-12-21(40-20)29(15-38-29)26(19,27)3/h5,7,11,18-21,23,25,34H,6,8-10,12-15H2,1-4H3/b7-5-/t18-,19+,20+,21+,23+,25+,26+,27+,28-,29-,30-/m0/s1
InChIKeyNIIUXENZLDFNHW-NJRWAKRPSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - PubMed (31730339)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Roridoxin C (CHEBI:207072) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1R,3S,7R,9S,12R,14R,15S,16S,17R,20Z,24S,28R)-28-hydroxy-24-methoxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20-diene-15,2'-oxirane]-9-yl] acetate