CG-21-C (CHEBI:227907)

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CHEBI:227907 - CG-21-C

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ChEBI ID	CHEBI:227907
ChEBI Name	CG-21-C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H50N2O15
Net Charge	0
Average Mass	798.839
Monoisotopic Mass	798.32112
SMILES	CC[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(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O
InChI	InChI=1S/C40H50N2O15/c1-7-40(51)14-24(28-31(38(40)50)35(49)29-30(34(28)48)33(47)27-18(32(29)46)9-8-10-21(27)43)55-25-12-20(42(5)6)36(16(3)52-25)56-26-13-23(45)37(17(4)53-26)57-39-19(41)11-22(44)15(2)54-39/h8-11,15-17,20,23-26,36-39,43,45,48-51H,7,12-14,41H2,1-6H3/t15?,16?,17?,20?,23?,24-,25?,26?,36?,37?,38+,39?,40+/m0/s1
InChIKey	LLJOPYYWDXVGJR-QLLCBLBSSA-N

Species of Metabolite	Component	Source	Comments
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-21-C (CHEBI:227907) is a anthracycline (CHEBI:48120)

IUPAC Name
(7S,9R,10R)-7-[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-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Manual Xrefs	Databases
78445331	ChemSpider