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CHEBI:207060 - Roridoxin A

ChEBI IDCHEBI:207060
ChEBI NameRoridoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O10
Net Charge0
Average Mass546.613
Monoisotopic Mass546.24650
SMILESCCO[C@@]12CC/C=C\C(=O)O[C@@H]3C[C@H]4O[C@@H]5C=C(C)CC[C@]5(COC(=O)[C@H]5O[C@]5(CCO1)[C@H]2O)[C@]3(C)[C@]41CO1
InChIInChI=1S/C29H38O10/c1-4-34-29-9-6-5-7-21(30)38-18-14-20-28(16-36-28)25(18,3)26(10-8-17(2)13-19(26)37-20)15-33-23(31)22-27(39-22,24(29)32)11-12-35-29/h5,7,13,18-20,22,24,32H,4,6,8-12,14-16H2,1-3H3/b7-5-/t18-,19-,20-,22-,24-,25-,26-,27+,28+,29+/m1/s1
InChIKeyFHOGQZXNHZUCAX-YKIZVMIASA-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 A (CHEBI:207060) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3S,7R,12R,14R,15S,16S,17R,20Z,24S,28R)-24-ethoxy-28-hydroxy-10,16-dimethylspiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20-diene-15,2'-oxirane]-4,19-dione