EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198192 - Ruthmycin

ChEBI IDCHEBI:198192
ChEBI NameRuthmycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILESCCC[C@H]1O[C@H](CC(=O)O)C=C2[C@]13CC(=O)C[C@]2(O)c1cccc(O)c1C3=O
InChIInChI=1S/C21H22O7/c1-2-4-16-20-9-11(22)10-21(27,15(20)7-12(28-16)8-17(24)25)13-5-3-6-14(23)18(13)19(20)26/h3,5-7,12,16,23,27H,2,4,8-10H2,1H3,(H,24,25)/t12-,16+,20+,21-/m0/s1
InChIKeyNUSPYTZPFANSTB-UKZSNMSTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RM-4-15 (ncbitaxon:1337050) - PubMed (24341358)
ChEBI Ontology
Outgoing Relation(s)
Ruthmycin (CHEBI:198192) is a organic heterotricyclic compound (CHEBI:26979)
Ruthmycin (CHEBI:198192) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(1R,9R,12R,14R)-4,9-dihydroxy-2,16-dioxo-14-propyl-13-oxatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6,10-tetraen-12-yl]acetic acid
Manual XrefsDatabases
30830036ChemSpider