EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200730 - Roridin M

ChEBI IDCHEBI:200730
ChEBI NameRoridin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O9
Net Charge0
Average Mass528.598
Monoisotopic Mass528.23593
SMILESCC1=CC2OC3C(O)C4OC(=O)/C=C\C=C/C5OC(C/C(C)=C\C(=O)OCC2(CC1)C4(C)C31CO1)OC5C
InChIInChI=1S/C29H36O9/c1-16-9-10-28-14-33-22(31)12-17(2)13-23-35-18(3)19(36-23)7-5-6-8-21(30)38-25-24(32)26(37-20(28)11-16)29(15-34-29)27(25,28)4/h5-8,11-12,18-20,23-26,32H,9-10,13-15H2,1-4H3/b7-5-,8-6-,17-12-
InChIKeyDRYUAYDRFAXIBH-VUSCAAFMSA-N
Species of MetaboliteComponentSourceComments
Albifimbria verrucaria (ncbitaxon:1859699) - PubMed (11827043)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Roridin M (CHEBI:200730) is a trichothecene (CHEBI:55517)
IUPAC Name 
(12Z,19Z,21Z)-28-hydroxy-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
8657455ChemSpider