EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207663 - 7'-hydroxymytoxin B

ChEBI IDCHEBI:207663
ChEBI Name7'-hydroxymytoxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O10
Net Charge0
Average Mass544.597
Monoisotopic Mass544.23085
SMILESCC(=O)[C@]12OCCC(=CC(=O)OC[C@]34CCC(C)=C[C@H]3O[C@@H]3C[C@@H](OC(=O)/C=C\C[C@@H]1O)[C@@]4(C)[C@]31CO1)[C@H]2O
InChIInChI=1S/C29H36O10/c1-16-7-9-27-14-35-24(33)12-18-8-10-36-29(17(2)30,25(18)34)19(31)5-4-6-23(32)39-20-13-22(38-21(27)11-16)28(15-37-28)26(20,27)3/h4,6,11-12,19-22,25,31,34H,5,7-10,13-15H2,1-3H3/b6-4-,18-12?/t19-,20+,21+,22+,25+,26+,27+,28-,29-/m0/s1
InChIKeyPRPKUZBJTLKZRO-AXQISGBOSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - PubMed (31026874)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
7'-hydroxymytoxin B (CHEBI:207663) is a trichothecene (CHEBI:55517)
IUPAC Name 
(6R,11R,13R,14S,15S,16R,19Z,22S,23S,27R)-23-acetyl-22,27-dihydroxy-9,15-dimethylspiro[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