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CHEBI:214145 - IV B

ChEBI IDCHEBI:214145
ChEBI NameIV B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H49NO14
Net Charge0
Average Mass767.825
Monoisotopic Mass767.31531
SMILESCC[C@@]1(O)CC(OC2C[C@H](N(C)C)C(OC3C[C@@H]4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C1O
InChIInChI=1S/C40H49NO14/c1-7-40(48)15-27(31-21(38(40)47)11-20-32(35(31)46)34(45)30-19(33(20)44)9-8-10-23(30)42)53-28-12-22(41(5)6)36(17(3)49-28)54-29-14-25-37(18(4)50-29)55-39-26(52-25)13-24(43)16(2)51-39/h8-11,16-18,22,25-29,36-39,42,46-48H,7,12-15H2,1-6H3/t16?,17?,18?,22-,25-,26?,27?,28?,29?,36?,37?,38?,39?,40+/m0/s1
InChIKeyAYOLXZYWMYZLAV-ASPNCTAQSA-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 B (CHEBI:214145) is a anthracycline (CHEBI:48120)
IUPAC Name 
(9R)-7-[(4S)-4-(dimethylamino)-5-[[(10S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
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78445470ChemSpider