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CHEBI:223529 - Tomophagusin H

ChEBI IDCHEBI:223529
ChEBI NameTomophagusin H
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)C4=C(CC[C@]23C)[C@@H](O)C2=CCC(=O)OC(C)(C)[C@@H]2CC4)OC1=O
InChIInChI=1S/C30H42O5/c1-17-7-11-24(34-27(17)33)18(2)21-14-16-30(6)23-10-9-22-19(8-12-25(31)35-28(22,3)4)26(32)20(23)13-15-29(21,30)5/h7-8,18,21-22,24,26,32H,9-16H2,1-6H3/t18-,21+,22+,24-,26-,29+,30-/m0/s1
InChIKeyHUIVYPKBJJNRAA-ZMFCEPPBSA-N
Species of MetaboliteComponentSourceComments
Tomophagusspecies (ncbitaxon:2782489) - PubMed (30983350)
ChEBI Ontology
Outgoing Relation(s)
Tomophagusin H (CHEBI:223529) is a pyranone (CHEBI:37963)
IUPAC Name 
(2S,9R,13R,16R,17R)-2-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),3-dien-6-one