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CHEBI:223604 - Tomophagusin A

Default Structure
ChEBI IDCHEBI:223604
ChEBI NameTomophagusin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O5
Net Charge0
Average Mass482.661
Monoisotopic Mass482.30322
SMILESCC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@]45CC[C@@H](C(C)(C)O4)[C@]4(CCC(=O)OC4)C5=CC[C@]23C)OC1=O
InChIInChI=1S/C30H42O5/c1-18-7-8-21(34-25(18)32)19(2)20-9-14-28(6)27(20,5)13-10-23-29(15-12-24(31)33-17-29)22-11-16-30(23,28)35-26(22,3)4/h7,10,19-22H,8-9,11-17H2,1-6H3/t19-,20+,21-,22-,27+,28+,29+,30-/m0/s1
InChIKeyNETGTQNVWACXBN-MSOZDTILSA-N
Species of MetaboliteComponentSourceComments
Tomophagusspecies (ncbitaxon:2782489) - PubMed (30983350)
ChEBI Ontology
Outgoing Relation(s)
Tomophagusin A (CHEBI:223604) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,2R,5R,6R,10R,11R)-2,6,12,12-tetramethyl-5-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]spiro[13-oxatetracyclo[9.2.2.01,9.02,6]pentadec-8-ene-10,5'-oxane]-2'-one