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CHEBI:220032 - 3′-epiverrucarin X

ChEBI IDCHEBI:220032
ChEBI Name3′-epiverrucarin X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O11
Net Charge0
Average Mass532.542
Monoisotopic Mass532.19446
SMILESC[C@@H]1CCOC(=O)/C=C/C=C\C(=O)OC2C[C@H]3O[C@@H]4C=C(C(=O)O)CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@]31CO1
InChIInChI=1S/C27H32O11/c1-15-8-10-34-20(28)5-3-4-6-21(29)38-17-12-19-27(14-36-27)25(17,2)26(13-35-24(33)22(15)30)9-7-16(23(31)32)11-18(26)37-19/h3-6,11,15,17-19,22,30H,7-10,12-14H2,1-2H3,(H,31,32)/b5-3+,6-4-/t15-,17?,18-,19-,22+,25-,26-,27+/m1/s1
InChIKeyUKQUNUSSEKGBDS-GCAQZDHTSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
3′-epiverrucarin X (CHEBI:220032) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3R,8R,12S,13R,18E,20Z,25S,26S)-12-hydroxy-13,25-dimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-5-carboxylic acid