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CHEBI:211550 - Roridin Q

ChEBI IDCHEBI:211550
ChEBI NameRoridin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H46O11
Net Charge0
Average Mass642.742
Monoisotopic Mass642.30401
SMILESCC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C/C=C[C@H]([C@@H](C)OCC/C(C)=C/C(=O)O)OCC/C(CO)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1
InChIInChI=1S/C35H46O11/c1-22-9-12-34-20-43-32(40)17-25(19-36)11-14-42-26(24(3)41-13-10-23(2)16-30(37)38)7-5-6-8-31(39)46-27-18-29(45-28(34)15-22)35(21-44-35)33(27,34)4/h5-8,15-17,24,26-29,36H,9-14,18-21H2,1-4H3,(H,37,38)/b7-5?,8-6+,23-16+,25-17-/t24-,26-,27-,28-,29-,33-,34-,35+/m1/s1
InChIKeyXFQPQDBGNSBFNG-HQKIBZLKSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - PubMed (17080680)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Roridin Q (CHEBI:211550) is a trichothecene (CHEBI:55517)
IUPAC Name 
(E)-5-[(1R)-1-[(1R,3R,8R,12Z,17R,20E,24R,25S,26S)-13-(hydroxymethyl)-5,25-dimethyl-11,22-dioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-17-yl]ethoxy]-3-methylpent-2-enoic acid