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CHEBI:218318 - Penicitol A

ChEBI IDCHEBI:218318
ChEBI NamePenicitol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O4
Net Charge0
Average Mass318.413
Monoisotopic Mass318.18311
SMILESCO[C@]12CCCC[C@H]1[C@H]1O[C@H](C)[C@@H](C)c3c(C)c(O)cc(c31)O2
InChIInChI=1S/C19H26O4/c1-10-12(3)22-18-13-7-5-6-8-19(13,21-4)23-15-9-14(20)11(2)16(10)17(15)18/h9-10,12-13,18,20H,5-8H2,1-4H3/t10-,12-,13+,18-,19+/m1/s1
InChIKeyBJEWDWPQZHRVNW-SROHXQLGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25611519)
ChEBI Ontology
Outgoing Relation(s)
Penicitol A (CHEBI:218318) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,2S,7S,14S,15R)-7-methoxy-12,14,15-trimethyl-8,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-9(17),10,12-trien-11-ol
Manual XrefsDatabases
34560676ChemSpider