CHEBI:206704 - Malyngamide N

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Malyngamide N
ChEBI ID CHEBI:206704
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H40ClNO4
Net Charge 0
Average Mass 466.060
Monoisotopic Mass 465.26459
InChI InChI=1S/C26H40ClNO4/c1-5-6-7-8-10-13-22(31-4)14-11-9-12-15-24(29)28(3)19-21(18-27)26-23(32-26)17-16-20(2)25(26)30/h9,11,16,18,22-23H,5-8,10,12-15,17,19H2,1-4H3/b11-9+,21-18-/t22-,23-,26-/m0/s1
InChIKey NTWGVTHKTLNPTB-SERKONDUSA-N
SMILES Cl/C=C(\[C@]12O[C@H]1CC=C(C2=O)C)/CN(C(=O)CC/C=C/C[C@@H](OC)CCCCCCC)C
ChEBI Ontology
Outgoing Malyngamide N (CHEBI:206704) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(E,7S)-N-[(Z)-3-chloro-2-[(1S,6S)-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]prop-2-enyl]-7-methoxy-N-methyltetradec-4-enamide
Manual Xref Database
8703580 ChemSpider
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