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CHEBI:213899 - CG-1-C

ChEBI IDCHEBI:213899
ChEBI NameCG-1-C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H52N2O15
Net Charge0
Average Mass824.877
Monoisotopic Mass824.33677
SMILESCC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(OC4OC(C)C(=O)C=C4N)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC
InChIInChI=1S/C42H52N2O15/c1-8-42(52)16-28(32-21(34(42)40(51)53-7)12-22-33(37(32)50)36(49)31-20(35(22)48)10-9-11-25(31)45)57-29-14-24(44(5)6)38(18(3)54-29)58-30-15-27(47)39(19(4)55-30)59-41-23(43)13-26(46)17(2)56-41/h9-13,17-19,24,27-30,34,38-39,41,45,47,50,52H,8,14-16,43H2,1-7H3/t17?,18?,19?,24?,27?,28-,29?,30?,34-,38?,39?,41?,42+/m0/s1
InChIKeyOHMUKIWRHXAZQS-ITYAIZDTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces galilaeus (ncbitaxon:33899) - PubMed (8784429)
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)
CG-1-C (CHEBI:213899) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (1R,2R,4S)-4-[5-[5-[(3-amino-6-methyl-5-oxo-2H-pyran-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78445183ChemSpider