Nocamycin (CHEBI:219652)

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CHEBI:219652 - Nocamycin

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ChEBI ID	CHEBI:219652
ChEBI Name	Nocamycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H33NO9
Net Charge	0
Average Mass	503.548
Monoisotopic Mass	503.21553
SMILES	COC(=O)C(C)C1OC12CC(=O)C1OC2(C)OC(C(C)/C=C(C)/C=C/C(O)=C2C(=O)CNC2=O)C1C
InChI	InChI=1S/C26H33NO9/c1-12(7-8-16(28)19-18(30)11-27-23(19)31)9-13(2)20-14(3)21-17(29)10-26(25(5,34-20)35-21)22(36-26)15(4)24(32)33-6/h7-9,13-15,20-22,28H,10-11H2,1-6H3,(H,27,31)/b8-7+,12-9+,19-16?
InChIKey	HYMKQHFHDVAFGQ-OZAMFLKISA-N

Species of Metabolite	Component	Source	Comments
Saccharothrix syringae (ncbitaxon:103733)	-	PubMed (468730)

ChEBI Ontology

Outgoing Relation(s)
	Nocamycin (CHEBI:219652) is a ketal (CHEBI:59777)

IUPAC Name
methyl 2-[3-[(3E,5E)-7-(2,4-dioxopyrrolidin-3-ylidene)-7-hydroxy-4-methylhepta-3,5-dien-2-yl]-1,4-dimethyl-6-oxospiro[2,9-dioxabicyclo[3.3.1]nonane-8,3'-oxirane]-2'-yl]propanoate