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CHEBI:224989 - Betaclamycin S

ChEBI IDCHEBI:224989
ChEBI NameBetaclamycin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H43NO13
Net Charge0
Average Mass673.712
Monoisotopic Mass673.27344
SMILESCC[C@@]1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@@H](O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C34H43NO13/c1-6-34(44)12-19(47-20-10-16(35(4)5)32(14(3)46-20)48-21-11-18(37)27(38)13(2)45-21)23-26(33(34)43)31(42)24-25(30(23)41)29(40)22-15(28(24)39)8-7-9-17(22)36/h7-9,13-14,16,18-21,27,32-33,36-38,41-44H,6,10-12H2,1-5H3/t13-,14-,16-,18-,19-,20+,21+,27+,32-,33+,34+/m0/s1
InChIKeyGLHVPXYMPHPMMY-HHKPFQRCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6480506)
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)
Betaclamycin S (CHEBI:224989) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R,10R)-7-[(2S,4S,5R,6S)-5-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78443275ChemSpider