A-396-I (CHEBI:211501)

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CHEBI:211501 - A-396-I

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ChEBI ID	CHEBI:211501
ChEBI Name	A-396-I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H35N3O13
Net Charge	0
Average Mass	513.497
Monoisotopic Mass	513.21699
SMILES	NC1CC(N)C(O)C(OC2OC(CO)C(O)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC23)C1O
InChI	InChI=1S/C19H35N3O13/c20-4-1-5(21)9(26)14(8(4)25)32-18-16-15(10(27)7(3-24)31-18)34-19(35-16)17(30)12(29)11(28)13(33-19)6(22)2-23/h4-18,23-30H,1-3,20-22H2
InChIKey	KVSOEYKMPUZSCL-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (5458306)

ChEBI Ontology

Outgoing Relation(s)
	A-396-I (CHEBI:211501) is a amino cyclitol (CHEBI:61689)

IUPAC Name
6'-(1-amino-2-hydroxyethyl)-4-(3,5-diamino-2,6-dihydroxycyclohexyl)oxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol

Manual Xrefs	Databases
180248	ChemSpider