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CHEBI:226404 - Vatiamide C

ChEBI IDCHEBI:226404
ChEBI NameVatiamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46ClNO7
Net Charge0
Average Mass580.162
Monoisotopic Mass579.29628
SMILESC#CCCCC(=CCl)CC[C@@H](C)C=CCCC(=O)NCC1(O)OC(CC2CC(OC)=CC(=O)O2)CC(OC)C1C
InChIInChI=1S/C31H46ClNO7/c1-6-7-8-12-24(20-32)15-14-22(2)11-9-10-13-29(34)33-21-31(36)23(3)28(38-5)18-27(40-31)17-26-16-25(37-4)19-30(35)39-26/h1,9,11,19-20,22-23,26-28,36H,7-8,10,12-18,21H2,2-5H3,(H,33,34)/t22-,23?,26?,27?,28?,31?/m0/s1
InChIKeyUOAUHJWVKNXERD-XPKNVKJBSA-N
Species of MetaboliteComponentSourceComments
Ianmoorea (ncbitaxon:619344) - PubMed (31071229)
ChEBI Ontology
Outgoing Relation(s)
Vatiamide C (CHEBI:226404) is a pyranone (CHEBI:37963)
IUPAC Name 
(6R)-9-(chloromethylidene)-N-[[2-hydroxy-4-methoxy-6-[(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)methyl]-3-methyloxan-2-yl]methyl]-6-methyltetradec-4-en-13-ynamide