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CHEBI:223518 - Tomophagusin F

Default Structure
ChEBI IDCHEBI:223518
ChEBI NameTomophagusin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O8
Net Charge0
Average Mass552.664
Monoisotopic Mass552.27232
SMILESCC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]2CC=C(C)C(=O)O2)[C@@]2(C)CC(=O)C3=C(CC[C@H]4C(C)(C)OC(=O)C=C[C@]45O[C@H]35)[C@]12C
InChIInChI=1S/C32H40O8/c1-16-8-10-22(38-28(16)36)17(2)20-14-24(37-18(3)33)31(7)19-9-11-23-29(4,5)39-25(35)12-13-32(23)27(40-32)26(19)21(34)15-30(20,31)6/h8,12-13,17,20,22-24,27H,9-11,14-15H2,1-7H3/t17-,20+,22-,23-,24+,27+,30+,31+,32-/m0/s1
InChIKeyCKUAGNVFVXEMKL-XIIWCUHTSA-N
Species of MetaboliteComponentSourceComments
Tomophagusspecies (ncbitaxon:2782489) - PubMed (30983350)
ChEBI Ontology
Outgoing Relation(s)
Tomophagusin F (CHEBI:223518) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(2R,4S,10S,14R,15R,17R,18R)-9,9,14,18-tetramethyl-17-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7,20-dioxo-3,8-dioxapentacyclo[11.7.0.02,4.04,10.014,18]icosa-1(13),5-dien-15-yl] acetate