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CHEBI:201542 - Narasin sodium

ChEBI IDCHEBI:201542
ChEBI NameNarasin sodium
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FormulaC43H71O11.Na
Net Charge0
Average Mass787.020
Monoisotopic Mass786.48941
SMILESCCC(C(=O)[O-])C1OC(C(C)C(O)C(C)C(=O)C(CC)C2OC3(C=CC(O)C4(CCC(C)(C5CCC(O)(CC)C(C)O5)O4)O3)C(C)CC2C)C(C)CC1C.[Na+]
InChIInChI=1S/C43H72O11.Na/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);/q;+1/p-1
InChIKeyNBRZEFXQRCTYMC-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Narasin sodium (CHEBI:201542) is a diterpenoid (CHEBI:23849)
IUPAC Name 
sodium;(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]butanoate
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