EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203563 - N05WA963D

ChEBI IDCHEBI:203563
ChEBI NameN05WA963D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H42O13
Net Charge0
Average Mass706.741
Monoisotopic Mass706.26254
SMILESCOc1cc2c(c3c1C[C@@](C)(O)CC3=O)C(=O)c1ccc(C3CC(O)C(OC4CCC(OC5C=CC(=O)C(C)O5)C(C)O4)C(C)O3)c(O)c1C2=O
InChIInChI=1S/C38H42O13/c1-16-23(39)8-10-29(48-16)50-26-9-11-30(49-17(26)2)51-37-18(3)47-28(13-24(37)40)19-6-7-20-33(34(19)42)36(44)21-12-27(46-5)22-14-38(4,45)15-25(41)31(22)32(21)35(20)43/h6-8,10,12,16-18,24,26,28-30,37,40,42,45H,9,11,13-15H2,1-5H3/t16?,17?,18?,24?,26?,28?,29?,30?,37?,38-/m1/s1
InChIKeyRJSDJAHVRVFSLU-ZGIZWTHSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21285963)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
N05WA963D (CHEBI:203563) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R)-3,8-dihydroxy-9-[4-hydroxy-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]-5-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78445118ChemSpider