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CHEBI:227095 - Isororidin P

ChEBI IDCHEBI:227095
ChEBI NameIsororidin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O8
Net Charge0
Average Mass514.615
Monoisotopic Mass514.25667
SMILESCC1=CC2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/[C@H](O)[C@H](C)OCC/C(C)=C\C(=O)OCC2(CC1)[C@]4(C)[C@]31CO1
InChIInChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-20(3)21(30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21-,22+,23?,24+,27+,28?,29-/m0/s1
InChIKeyLIZTVRFBEXUQHG-XCIVTRMOSA-N
Species of MetaboliteComponentSourceComments
Myrothecium (ncbitaxon:5531) - DOI (10.1007/s00044-007-9012-0)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Isororidin P (CHEBI:227095) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,12Z,17S,18S,19Z,21Z,25R,26S,27S)-18-hydroxy-5,13,17,26-tetramethylspiro[2,10,16,24-tetraoxatetracyclo[23.2.1.03,8.08,26]octacosa-4,12,19,21-tetraene-27,2'-oxirane]-11,23-dione
Manual XrefsDatabases
78442686ChemSpider