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CHEBI:80714 - Rubratoxin B

Default Structure
ChEBI IDCHEBI:80714
ChEBI NameRubratoxin B
Stars
DownloadsMolfile
FormulaC26H30O11
Net Charge0
Average Mass518.515
Monoisotopic Mass518.17881
SMILES[H][C@@]1([C@H](O)[C@]2([H])CC=CC(=O)O2)CC2=C(C(=O)OC2=O)[C@H](O)[C@]([H])([C@H](O)CCCCCC)C2=C(C1)C(=O)OC2=O
InChIInChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1
InChIKeyZJTBTDVZNGBSNG-RETZLTROSA-N
ChEBI Ontology
Outgoing Relation(s)
Rubratoxin B (CHEBI:80714) is a carbonyl compound (CHEBI:36586)
Manual XrefsDatabases
C16767KEGG COMPOUND
Registry NumbersSources
CAS:21794-01-4KEGG COMPOUND