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CHEBI:226719 - Furanoaustinol

ChEBI IDCHEBI:226719
ChEBI NameFuranoaustinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O9
Net Charge0
Average Mass474.506
Monoisotopic Mass474.18898
SMILESC=C1[C@@]23C(=O)O[C@H](C)[C@@]2(O)C(=O)O[C@]1(C)[C@@H](O)C1=C2CO[C@H]4CC(=O)OC(C)(C)[C@@]24CC[C@@]13C
InChIInChI=1S/C25H30O9/c1-11-22(6)17(27)16-13-10-31-14-9-15(26)33-20(3,4)23(13,14)8-7-21(16,5)24(11)18(28)32-12(2)25(24,30)19(29)34-22/h12,14,17,27,30H,1,7-10H2,2-6H3/t12-,14+,17+,21+,22+,23+,24+,25-/m1/s1
InChIKeyKUCIXBSTGWHAFD-KGWQHKOWSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SF-5497 (ncbitaxon:1855734) - PubMed (29463888)
ChEBI Ontology
Outgoing Relation(s)
Furanoaustinol (CHEBI:226719) is a furopyran (CHEBI:74927)
IUPAC Name 
(1R,2S,5S,10S,15S,16S,19R,20R)-15,19-dihydroxy-2,6,6,16,20-pentamethyl-23-methylidene-7,11,17,21-tetraoxahexacyclo[14.6.1.01,19.02,14.05,10.05,13]tricos-13-ene-8,18,22-trione
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