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CHEBI:208893 - Roridin R

ChEBI IDCHEBI:208893
ChEBI NameRoridin R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O9
Net Charge0
Average Mass530.614
Monoisotopic Mass530.25158
SMILESCC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/C5OC(C[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)OC5C
InChIInChI=1S/C29H38O9/c1-16-9-10-28-14-33-26(32)25(31)17(2)12-24-35-18(3)19(36-24)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11,17-22,24-25,31H,9-10,12-15H2,1-4H3/b7-5-,8-6-/t17-,18?,19?,20-,21-,22-,24?,25+,27-,28-,29+/m1/s1
InChIKeyIDKGOOSUZDQUOK-CNKICRAXSA-N
Species of MetaboliteComponentSourceComments
Paramyrothecium roridum (ncbitaxon:1859971) - PubMed (17080680)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Roridin R (CHEBI:208893) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1R,3R,8R,12S,13R,19Z,21Z,25R,26S,27S)-12-hydroxy-5,13,17,26-tetramethylspiro[2,10,16,24,29-pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa-4,19,21-triene-27,2'-oxirane]-11,23-dione
Manual XrefsDatabases
17243428ChemSpider