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CHEBI:222917 - Satratoxin I

ChEBI IDCHEBI:222917
ChEBI NameSatratoxin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O10
Net Charge0
Average Mass546.613
Monoisotopic Mass546.24650
SMILESCC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@]4([C@H](C)O)OCC/C(=C\C(=O)O)[C@@H]4O)[C@](C)([C@@]2(CO)CC1)[C@]31CO1
InChIInChI=1S/C29H38O10/c1-17-7-10-27(15-30)21(12-17)38-22-14-20(26(27,3)29(22)16-37-29)39-24(34)6-4-5-9-28(18(2)31)25(35)19(8-11-36-28)13-23(32)33/h4-6,9,12-13,18,20-22,25,30-31,35H,7-8,10-11,14-16H2,1-3H3,(H,32,33)/b6-4-,9-5+,19-13+/t18-,20+,21+,22+,25-,26+,27+,28+,29-/m0/s1
InChIKeyXXRXTLHRXDOWKF-RVSBEDBKSA-N
Species of MetaboliteComponentSourceComments
Trichoderma cornu-damae (ncbitaxon:654480) - PubMed (30457333)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Satratoxin I (CHEBI:222917) is a trichothecene (CHEBI:55517)
IUPAC Name 
(2E)-2-[(2R,3S)-3-hydroxy-2-[(1S)-1-hydroxyethyl]-2-[(1E,3Z)-5-[(1S,2R,7R,9R,11R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl]oxy-5-oxopenta-1,3-dienyl]oxan-4-ylidene]acetic acid