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CHEBI:223620 - Tomophagusin D

ChEBI IDCHEBI:223620
ChEBI NameTomophagusin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O5
Net Charge0
Average Mass454.607
Monoisotopic Mass454.27192
SMILESCC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=CC[C@H]5COC[C@@]5(CCC(=O)O)C4=CC[C@]23C)OC1=O
InChIInChI=1S/C28H38O5/c1-17-5-8-23(33-25(17)31)18(2)20-9-12-27(4)21-7-6-19-15-32-16-28(19,14-11-24(29)30)22(21)10-13-26(20,27)3/h5,7,10,18-20,23H,6,8-9,11-16H2,1-4H3,(H,29,30)/t18-,19-,20+,23-,26+,27-,28+/m0/s1
InChIKeyBTNCFAHIQWSSRN-SDPFRIKESA-N
Species of MetaboliteComponentSourceComments
Tomophagusspecies (ncbitaxon:2782489) - PubMed (30983350)
ChEBI Ontology
Outgoing Relation(s)
Tomophagusin D (CHEBI:223620) is a pyranone (CHEBI:37963)
IUPAC Name 
3-[(3aR,5aR,6R,8aR,10aR)-5a,8a-dimethyl-6-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,3,5,6,7,8,10,10a-octahydroindeno[5,4-e][2]benzouran-3a-yl]propanoic acid