EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200977 - (3R)-3-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

ChEBI IDCHEBI:200977
ChEBI Name(3R)-3-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26O10
Net Charge0
Average Mass498.484
Monoisotopic Mass498.15260
SMILESCOc1cccc2c1C(=O)c1c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc3c(c1C2=O)C(=O)C[C@](C)(O)C3
InChIInChI=1S/C26H26O10/c1-10-20(28)23(31)24(32)25(35-10)36-15-7-11-8-26(2,33)9-13(27)16(11)19-18(15)22(30)17-12(21(19)29)5-4-6-14(17)34-3/h4-7,10,20,23-25,28,31-33H,8-9H2,1-3H3/t10-,20-,23+,24+,25-,26+/m0/s1
InChIKeyMBGOHEHBMYZFHK-ZNSXSTPLSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB01913 (ncbitaxon:1712655) - PubMed (26335269)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(3R)-3-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione (CHEBI:200977) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R)-3-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78436704ChemSpider