EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:8891 - Roridin A

ChEBI IDCHEBI:8891
ChEBI NameRoridin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H40O9
Net Charge0
Average Mass532.630
Monoisotopic Mass532.26723
SMILES[H][C@]1([C@@H](C)O)/C=C/C=C\C(=O)O[C@@H]2C[C@@]3([H])O[C@]4([H])C=C(C)CC[C@]4(COC(=O)[C@@H](O)[C@H](C)CCO1)[C@]2(C)[C@@]31CO1
InChIInChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1
InChIKeyNSFWWJIQIKBZMJ-YKNYLIOZSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Roridin A (CHEBI:8891) is a trichothecene (CHEBI:55517)
Synonym  Source
Roridin AKEGG COMPOUND
Manual XrefsDatabases
C09716KEGG COMPOUND
C00003179KNApSAcK
Registry NumbersSources
CAS:14729-29-4KEGG COMPOUND