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CHEBI:225690 - Penicitrinol K

ChEBI IDCHEBI:225690
ChEBI NamePenicitrinol K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESCc1c(O)c(C(=O)O)c2c3c1[C@H](C)[C@@H](C)O[C@H]3C[C@@](C)(O)O2
InChIInChI=1S/C16H20O6/c1-6-8(3)21-9-5-16(4,20)22-14-11(9)10(6)7(2)13(17)12(14)15(18)19/h6,8-9,17,20H,5H2,1-4H3,(H,18,19)/t6-,8-,9+,16+/m1/s1
InChIKeyLXFOIITYEVPGJX-RILNWLSGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23681057)
ChEBI Ontology
Outgoing Relation(s)
Penicitrinol K (CHEBI:225690) is a benzenes (CHEBI:22712)
Penicitrinol K (CHEBI:225690) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3S,5S,7R,8S)-3,11-dihydroxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene-12-carboxylic acid
Manual XrefsDatabases
30770853ChemSpider