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CHEBI:224444 - Alldimycin B

ChEBI IDCHEBI:224444
ChEBI NameAlldimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48N2O12
Net Charge0
Average Mass700.782
Monoisotopic Mass700.32072
SMILESCC[C@]1(O)C[C@@H](O[C@H]2C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O2)c2cc3c(c(O)c2[C@H]1O[C@H]1C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O1)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C36H48N2O12/c1-8-36(46)14-23(49-24-12-19(37(4)5)30(41)15(2)47-24)17-11-18-26(34(45)29-22(40)10-9-21(39)28(29)32(18)43)33(44)27(17)35(36)50-25-13-20(38(6)7)31(42)16(3)48-25/h9-11,15-16,19-20,23-25,30-31,35,39-42,44,46H,8,12-14H2,1-7H3/t15-,16-,19-,20-,23-,24+,25+,30+,31+,35-,36+/m1/s1
InChIKeyJBKZSVYMGSDYJL-QFFJTSEKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceus (ncbitaxon:1936) - PubMed (1955394)
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)
Alldimycin B (CHEBI:224444) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7R,9S,10R)-7,10-bis[[(2S,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-1,4,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78443203ChemSpider