Dragocin C (CHEBI:209307)

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CHEBI:209307 - Dragocin C

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ChEBI ID	CHEBI:209307
ChEBI Name	Dragocin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H24ClNO7
Net Charge	0
Average Mass	401.843
Monoisotopic Mass	401.12413
SMILES	COc1ccc([C@H]2OC[C@@]3(Cl)O[C@@H](O[C@H]4[C@@H]2N(C)C[C@@H]4O)[C@H](O)[C@@H]3O)cc1
InChI	InChI=1S/C18H24ClNO7/c1-20-7-11(21)15-12(20)14(9-3-5-10(24-2)6-4-9)25-8-18(19)16(23)13(22)17(26-15)27-18/h3-6,11-17,21-23H,7-8H2,1-2H3/t11-,12+,13+,14+,15+,16-,17+,18+/m0/s1
InChIKey	KWYMEGXLFCVWMP-ZTOJQDGJSA-N

ChEBI Ontology

Outgoing Relation(s)
	Dragocin C (CHEBI:209307) is a methoxybenzenes (CHEBI:51683)

IUPAC Name
(1R,3S,4S,7R,8R,11S,12S,13R)-11-chloro-8-(4-methoxyphenyl)-6-methyl-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecane-4,12,13-triol

Manual Xrefs	Databases
71078914	ChemSpider