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CHEBI:211665 - 4-O-methylepelmycin D

ChEBI IDCHEBI:211665
ChEBI Name4-O-methylepelmycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H37NO11
Net Charge0
Average Mass599.633
Monoisotopic Mass599.23666
SMILESCCC1(O)CC(O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(OC)c1C3=O
InChIInChI=1S/C31H37NO11/c1-7-31(39)12-17(43-18-11-15(32(3)4)25(33)13(2)42-18)20-21(24(31)30(38)41-6)29(37)22-23(28(20)36)27(35)19-14(26(22)34)9-8-10-16(19)40-5/h8-10,13,15,17-18,24-25,33,36-37,39H,7,11-12H2,1-6H3/t13-,15-,17?,18-,24?,25+,31?/m0/s1
InChIKeyXSSVYBYWQBNYOH-VUGYFHDVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11079805)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4-O-methylepelmycin D (CHEBI:211665) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl 4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
8945189ChemSpider