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CHEBI:197661 - 6'-dehydroxytrichoverrin B

ChEBI IDCHEBI:197661
ChEBI Name6'-dehydroxytrichoverrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O8
Net Charge0
Average Mass516.631
Monoisotopic Mass516.27232
SMILESCC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\C[C@@H](C)O)[C@](C)([C@@]2(COC(=O)/C=C(\C)CCO)CC1)[C@]31CO1
InChIInChI=1S/C29H40O8/c1-19-10-12-28(17-34-26(33)15-20(2)11-13-30)23(14-19)36-24-16-22(27(28,4)29(24)18-35-29)37-25(32)9-7-5-6-8-21(3)31/h5-7,9,14-15,21-24,30-31H,8,10-13,16-18H2,1-4H3/b6-5+,9-7-,20-15+/t21-,22-,23-,24-,27-,28-,29+/m1/s1
InChIKeyBGULJAZDLDNUEV-XJBAEMDPSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - DOI (10.1002/hlca.201500088)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
6'-dehydroxytrichoverrin B (CHEBI:197661) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,11R,12S)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,7R)-7-hydroxyocta-2,4-dienoate
Manual XrefsDatabases
78440684ChemSpider