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CHEBI:183815 - Narasin

ChEBI IDCHEBI:183815
ChEBI NameNarasin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H72O11
Net Charge0
Average Mass765.038
Monoisotopic Mass764.50746
SMILES[H][C@]1([C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@]2([H])O[C@@]([H])([C@@H](CC)C(=O)O)[C@@H](C)C[C@@H]2C)O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@@]4([H])CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C
InChIInChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1
InChIKeyVHKXXVVRRDYCIK-CWCPJSEDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
Kitasatospora aureofaciens (ncbitaxon:1894) - PubMed (627518)
ChEBI Ontology
Outgoing Relation(s)
Narasin (CHEBI:183815) is a diterpene glycoside (CHEBI:71939)
IUPAC Names 
(2R)-2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid
2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid
Manual XrefsDatabases
D05122KEGG DRUG
DB11432DrugBank
58911ChemSpider
31046971ChemSpider
Registry NumbersSources
CAS:55134-13-9ChemIDplus