D-788-15 (CHEBI:198752)

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CHEBI:198752 - D-788-15

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ChEBI ID	CHEBI:198752
ChEBI Name	D-788-15
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H29NO11
Net Charge	0
Average Mass	543.525
Monoisotopic Mass	543.17406
SMILES	COC(=O)[C@@H]1c2c(O)c3c(c(O)c2[C@@H](OC2CC(N)C(O)C(C)O2)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O
InChI	InChI=1S/C27H29NO11/c1-9-21(30)11(28)7-14(38-9)39-13-8-27(2,36)20(26(35)37-3)17-16(13)24(33)19-18(25(17)34)22(31)10-5-4-6-12(29)15(10)23(19)32/h4-6,9,11,13-14,20-21,29-30,33-34,36H,7-8,28H2,1-3H3/t9?,11?,13-,14?,20-,21?,27+/m0/s1
InChIKey	CPJDZTLLDPHJGM-ZDDZLPDHSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (8436560)

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)
	D-788-15 (CHEBI:198752) is a anthracycline (CHEBI:48120)

IUPAC Name
methyl (1R,2R,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,7,12-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Manual Xrefs	Databases
78443727	ChemSpider