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CHEBI:225894 - 7-O-descarbamoyl-17-O-demethylreblastatin

ChEBI IDCHEBI:225894
ChEBI Name7-O-descarbamoyl-17-O-demethylreblastatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41NO7
Net Charge0
Average Mass491.625
Monoisotopic Mass491.28830
SMILESCOC1CC/C=C(\C)C(=O)Nc2cc(O)c(O)c(c2)CC(C)CC(OC)C(O)C(C)/C=C(\C)C1O
InChIInChI=1S/C27H41NO7/c1-15-10-19-13-20(14-21(29)26(19)32)28-27(33)16(2)8-7-9-22(34-5)24(30)17(3)12-18(4)25(31)23(11-15)35-6/h8,12-15,18,22-25,29-32H,7,9-11H2,1-6H3,(H,28,33)/b16-8+,17-12+
InChIKeyHRHLYMXYSLWYLD-ZEEJYANVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27999445)
ChEBI Ontology
Outgoing Relation(s)
7-O-descarbamoyl-17-O-demethylreblastatin (CHEBI:225894) is a phenols (CHEBI:33853)
IUPAC Name 
(4E,10E)-9,13,19,20-tetrahydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-3-one
Manual XrefsDatabases
78444709ChemSpider