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CHEBI:213072 - N-demethyl-isomalyngamide I

ChEBI IDCHEBI:213072
ChEBI NameN-demethyl-isomalyngamide I
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FormulaC25H40ClNO5
Net Charge0
Average Mass470.050
Monoisotopic Mass469.25950
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C\Cl)[C@]12O[C@H]1C[C@@H](O)[C@@H](C)C2=O)OC
InChIInChI=1S/C25H40ClNO5/c1-4-5-6-7-9-12-20(31-3)13-10-8-11-14-23(29)27-17-19(16-26)25-22(32-25)15-21(28)18(2)24(25)30/h8,10,16,18,20-22,28H,4-7,9,11-15,17H2,1-3H3,(H,27,29)/b10-8+,19-16+/t18-,20+,21-,22+,25+/m1/s1
InChIKeyYWLFVPLREWALDU-YTCQMKKZSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (29186048)
ChEBI Ontology
Outgoing Relation(s)
N-demethyl-isomalyngamide I (CHEBI:213072) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(E,7S)-N-[(E)-3-chloro-2-[(1S,3R,4R,6S)-4-hydroxy-3-methyl-2-oxo-7-oxabicyclo[4.1.0]heptan-1-yl]prop-2-enyl]-7-methoxytetradec-4-enamide
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63002544ChemSpider