CHEBI:199418 - Malyngamide E

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ChEBI Name Malyngamide E
ChEBI ID CHEBI:199418
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H55NO6
Net Charge 0
Average Mass 537.782
Monoisotopic Mass 537.40294
InChI InChI=1S/C31H55NO6/c1-8-9-10-11-13-16-22(2)19-24(38-7)17-14-12-15-18-27(33)32-26(21-37-6)28(34)25-20-23(3)29(35)31(4,5)30(25)36/h12,14,20,22-24,26,28-29,34-35H,8-11,13,15-19,21H2,1-7H3,(H,32,33)/b14-12+
InChIKey NSVICYIIAALIHO-WYMLVPIESA-N
SMILES O=C1C(=CC(C)C(C1(C)C)O)C(O)C(NC(=O)CC/C=C/CC(OC)CC(CCCCCCC)C)COC
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: DOI
ChEBI Ontology
Outgoing Malyngamide E (CHEBI:199418) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(E)-N-[1-hydroxy-1-(4-hydroxy-3,5,5-trimethyl-6-oxocyclohexen-1-yl)-3-methoxypropan-2-yl]-7-methoxy-9-methylhexadec-4-enamide
Manual Xref Database
10469766 ChemSpider
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