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CHEBI:222910 - Roridin F

ChEBI IDCHEBI:222910
ChEBI NameRoridin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O9
Net Charge0
Average Mass546.657
Monoisotopic Mass546.28288
SMILESCOC(=O)/C=C/C=C/[C@@H](OCC/C(C)=C/C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C[C@@H](O)[C@@]2(C)[C@]12CO2)[C@@H](C)O
InChIInChI=1S/C30H42O9/c1-19-10-12-29(24(14-19)39-25-16-23(32)28(29,4)30(25)18-38-30)17-37-27(34)15-20(2)11-13-36-22(21(3)31)8-6-7-9-26(33)35-5/h6-9,14-15,21-25,31-32H,10-13,16-18H2,1-5H3/b8-6+,9-7+,20-15+/t21-,22-,23-,24-,25-,28-,29-,30+/m1/s1
InChIKeyZCRBTLSNHWRJKQ-YHZQNRMTSA-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)
Roridin F (CHEBI:222910) is a trichothecene (CHEBI:55517)
IUPAC Name 
methyl (2E,4E,6R,7R)-7-hydroxy-6-[(E)-5-[[(1S,2R,7R,9R,11R,12S)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methoxy]-3-methyl-5-oxopent-3-enoxy]octa-2,4-dienoate