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CHEBI:144404 - Gymnodimine

ChEBI IDCHEBI:144404
ChEBI NameGymnodimine
Stars
Submittermwilliams
DownloadsMolfile
FormulaC32H45NO4
Net Charge0
Average Mass507.715
Monoisotopic Mass507.33486
SMILESCC1=C[C@@H](C2=C(C)[C@@H]3/C=C(\C)[C@@H](O)CC[C@@H]4C[C@@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O
InChIInChI=1S/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17-/t21-,24-,26+,27+,28+,30+,32+/m1/s1
InChIKeyDVXZVCNEGRKLMW-NEYXJGFOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
ChEBI Ontology
Outgoing Relation(s)
Gymnodimine (CHEBI:144404) is a tetrahydropyridine (CHEBI:26921)
IUPAC Name 
(2S)-2-[(1R,2E,11R,16S,17E,19S,22R,24R)-19-hydroxy-2,15,18,24-tetramethyl-25-oxa-7-azatetracyclo[20.2.1.06,11.011,16]pentacosa-2,6,14,17-tetraen-14-yl]-4-methyl-2H-uran-5-one
Manual XrefsDatabases
C20025KEGG COMPOUND