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CHEBI:215713 - IV A

ChEBI IDCHEBI:215713
ChEBI NameIV A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H51NO14
Net Charge0
Average Mass769.841
Monoisotopic Mass769.33096
SMILESCC[C@@]1(O)CC(OC2C[C@H](N(C)C)C(OC3C[C@H](O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1O
InChIInChI=1S/C40H51NO14/c1-7-40(49)16-27(32-22(39(40)48)13-21-33(36(32)47)35(46)31-20(34(21)45)9-8-10-25(31)43)53-29-14-23(41(5)6)37(18(3)51-29)55-30-15-26(44)38(19(4)52-30)54-28-12-11-24(42)17(2)50-28/h8-10,13,17-19,23,26-30,37-39,43-44,47-49H,7,11-12,14-16H2,1-6H3/t17?,18?,19?,23-,26-,27?,28?,29?,30?,37?,38?,39?,40+/m0/s1
InChIKeyOQDCVONZQOVIMP-SRINCSFOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces purpurascens (ncbitaxon:1924) - PubMed (8081500)
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)
IV A (CHEBI:215713) is a anthracycline (CHEBI:48120)
IUPAC Name 
(9R)-7-[(4S)-4-(dimethylamino)-5-[(4S)-4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78445471ChemSpider