EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225615 - Cladosporinone

ChEBI IDCHEBI:225615
ChEBI NameCladosporinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H30O14
Net Charge0
Average Mass650.589
Monoisotopic Mass650.16356
SMILESCOC(=O)CC(O)CC1=Cc2c(c(O)cc(OC)c2-c2c(OC)cc(O)c3c(O)c4c(cc23)C[C@@H](CC(=O)OC)OC4=O)C(=O)C1=O
InChIInChI=1S/C33H30O14/c1-43-21-11-19(35)26-17(7-13-6-16(10-24(38)46-4)47-33(42)25(13)31(26)40)28(21)29-18-8-14(5-15(34)9-23(37)45-3)30(39)32(41)27(18)20(36)12-22(29)44-2/h7-8,11-12,15-16,34-36,40H,5-6,9-10H2,1-4H3/t15?,16-/m0/s1
InChIKeyZOQQZBXWLMQSFV-LYKKTTPLSA-N
Species of MetaboliteComponentSourceComments
Cladosporium cladosporioides (ncbitaxon:29917) - PubMed (26905758)
ChEBI Ontology
Outgoing Relation(s)
Cladosporinone (CHEBI:225615) is a organic heterotricyclic compound (CHEBI:26979)
Cladosporinone (CHEBI:225615) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl 4-[8-[(3S)-9,10-dihydroxy-7-methoxy-3-(2-methoxy-2-oxoethyl)-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl]-5-hydroxy-7-methoxy-3,4-dioxonaphthalen-2-yl]-3-hydroxybutanoate
Manual XrefsDatabases
78438770ChemSpider