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CHEBI:226411 - Vatiamide D

ChEBI IDCHEBI:226411
ChEBI NameVatiamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H45BrClNO7
Net Charge0
Average Mass659.058
Monoisotopic Mass657.20679
SMILESCOC1=CC(=O)OC(CC2CC(OC)C(C)C(O)(CNC(=O)CCC=C[C@H](C)CCC(=CCl)CCCC#CBr)O2)C1
InChIInChI=1S/C31H45BrClNO7/c1-22(13-14-24(20-33)11-6-5-9-15-32)10-7-8-12-29(35)34-21-31(37)23(2)28(39-4)18-27(41-31)17-26-16-25(38-3)19-30(36)40-26/h7,10,19-20,22-23,26-28,37H,5-6,8,11-14,16-18,21H2,1-4H3,(H,34,35)/t22-,23?,26?,27?,28?,31?/m0/s1
InChIKeyMUWOPMUWBVOVID-XPKNVKJBSA-N
Species of MetaboliteComponentSourceComments
Ianmoorea (ncbitaxon:619344) - PubMed (31071229)
ChEBI Ontology
Outgoing Relation(s)
Vatiamide D (CHEBI:226411) is a pyranone (CHEBI:37963)
IUPAC Name 
(6R)-14-bromo-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