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CHEBI:224160 - 16-hydroxymytoxin B

ChEBI IDCHEBI:224160
ChEBI Name16-hydroxymytoxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O10
Net Charge0
Average Mass544.597
Monoisotopic Mass544.23085
SMILESCC(=O)[C@@]12CC/C=C\C(=O)O[C@@H]3C[C@H]4O[C@@H]5C=C(CO)CC[C@]5(COC(=O)/C=C(/CCO1)[C@H]2O)[C@@]3(C)[C@@]41CO1
InChIInChI=1S/C29H36O10/c1-17(31)28-8-4-3-5-23(32)39-20-13-22-29(16-37-29)26(20,2)27(9-6-18(14-30)11-21(27)38-22)15-35-24(33)12-19(25(28)34)7-10-36-28/h3,5,11-12,20-22,25,30,34H,4,6-10,13-16H2,1-2H3/b5-3-,19-12-/t20-,21-,22-,25-,26+,27-,28-,29-/m1/s1
InChIKeyFAUFOECCTCIGCY-YFHKCEKUSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - PubMed (31117520)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
16-hydroxymytoxin B (CHEBI:224160) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1Z,6R,11R,13R,14R,15R,16R,19Z,23S,27R)-23-acetyl-27-hydroxy-9-(hydroxymethyl)-15-methylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19-triene-14,2'-oxirane]-3,18-dione