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CHEBI:217374 - (1R,2S,12S,14R,15R,17S)-2,6,6,11,14,17-hexamethyl-8,18,19-trioxo-7,16,20-trioxapentacyclo[13.3.3.01,15.02,12.05,10]henicosa-4,10-diene-14-carboxylic acid

Default Structure
ChEBI IDCHEBI:217374
ChEBI Name(1R,2S,12S,14R,15R,17S)-2,6,6,11,14,17-hexamethyl-8,18,19-trioxo-7,16,20-trioxapentacyclo[13.3.3.01,15.02,12.05,10]henicosa-4,10-diene-14-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O8
Net Charge0
Average Mass458.507
Monoisotopic Mass458.19407
SMILESCC1=C2CC(=O)OC(C)(C)C2=CC[C@@]2(C)[C@H]1C[C@@](C)(C(=O)O)[C@]13COC(=O)[C@@]12C(=O)[C@H](C)O3
InChIInChI=1S/C25H30O8/c1-12-14-9-17(26)33-21(3,4)15(14)7-8-22(5)16(12)10-23(6,19(28)29)24-11-31-20(30)25(22,24)18(27)13(2)32-24/h7,13,16H,8-11H2,1-6H3,(H,28,29)/t13-,16-,22-,23-,24+,25+/m0/s1
InChIKeyBSWBZDBSSOBIMI-VZYSLATCSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29395667)
ChEBI Ontology
Outgoing Relation(s)
(1R,2S,12S,14R,15R,17S)-2,6,6,11,14,17-hexamethyl-8,18,19-trioxo-7,16,20-trioxapentacyclo[13.3.3.01,15.02,12.05,10]henicosa-4,10-diene-14-carboxylic acid (CHEBI:217374) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1R,2S,12S,14R,15R,17S)-2,6,6,11,14,17-hexamethyl-8,18,19-trioxo-7,16,20-trioxapentacyclo[13.3.3.01,15.02,12.05,10]henicosa-4,10-diene-14-carboxylic acid