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CHEBI:225149 - Arisugacin O

ChEBI IDCHEBI:225149
ChEBI NameArisugacin O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O8
Net Charge0
Average Mass484.545
Monoisotopic Mass484.20972
SMILESCOc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)C[C@@H](O)C(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1
InChIInChI=1S/C27H32O8/c1-23(2)20(28)13-21(29)25(4)26(23,31)11-10-24(3)27(25,32)14-17-19(35-24)12-18(34-22(17)30)15-6-8-16(33-5)9-7-15/h6-9,12,20,28,31-32H,10-11,13-14H2,1-5H3/t20-,24-,25+,26-,27-/m1/s1
InChIKeyOQZMMSBLGYHONG-ZJQFWPFFSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (31433188)
ChEBI Ontology
Outgoing Relation(s)
Arisugacin O (CHEBI:225149) is a organic heterotricyclic compound (CHEBI:26979)
Arisugacin O (CHEBI:225149) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2S,5R,7R,10R)-1,5,7-trihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-3,16-dione
Manual XrefsDatabases
128435440ChemSpider