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CHEBI:225176 - Roridin H

ChEBI IDCHEBI:225176
ChEBI NameRoridin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O8
Net Charge0
Average Mass512.599
Monoisotopic Mass512.24102
SMILESCC1=C[C@H]2OC3C[C@H]4OC(=O)/C=C\C=C/C5OC(C/C(C)=C\C(=O)OC[C@@]2(CC1)C4(C)[C@]31CO1)OC5C
InChIInChI=1S/C29H36O8/c1-17-9-10-28-15-32-25(31)12-18(2)13-26-34-19(3)20(35-26)7-5-6-8-24(30)37-21-14-23(36-22(28)11-17)29(16-33-29)27(21,28)4/h5-8,11-12,19-23,26H,9-10,13-16H2,1-4H3/b7-5-,8-6-,18-12-/t19?,20?,21-,22-,23?,26?,27?,28-,29+/m1/s1
InChIKeyIWFOIUWPNYEUAI-VHMZOKBUSA-N
Species of MetaboliteComponentSourceComments
Cylindrocarpon (ncbitaxon:13474) - PubMed (561773)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Roridin H (CHEBI:225176) is a trichothecene (CHEBI:55517)
IUPAC Name 
(3R,8R,12Z,19Z,21Z,25R,27S)-5,13,17,26-tetramethylspiro[2,10,16,24,29-pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa-4,12,19,21-tetraene-27,2'-oxirane]-11,23-dione
Manual XrefsDatabases
4952876ChemSpider