CHEBI:188044 - Malyngamide H

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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 H
ChEBI ID CHEBI:188044
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H41NO4
Net Charge 0
Average Mass 431.617
Monoisotopic Mass 431.30356
InChI InChI=1S/C26H41NO4/c1-5-6-7-8-10-13-22(30-4)14-11-9-12-15-24(28)27-19-18-21(3)26-23(31-26)17-16-20(2)25(26)29/h9,11,16,22-23H,3,5-8,10,12-15,17-19H2,1-2,4H3,(H,27,28)/b11-9+/t22-,23+,26+/m0/s1
InChIKey MNBBBIJBVPWYSD-AIIVTHQSSA-N
SMILES O1[C@@]2([C@]1(CC=C(C2=O)C)[H])C(CCNC(=O)CC\C=C\C[C@@H](OC)CCCCCCC)=C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Malyngamide H (CHEBI:188044) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(E,7S)-7-methoxy-N-[3-[(1R,6R)-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]but-3-enyl]tetradec-4-enamide
Manual Xref Database
8201342 ChemSpider
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