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CHEBI:223125 - Phomochromanone C

ChEBI IDCHEBI:223125
ChEBI NamePhomochromanone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILESCC[C@H](C)[C@@H]1O[C@@H]2O[C@@H](C)Cc3cc(O)c(C)c(c32)C1=O
InChIInChI=1S/C17H22O4/c1-5-8(2)16-15(19)13-10(4)12(18)7-11-6-9(3)20-17(21-16)14(11)13/h7-9,16-18H,5-6H2,1-4H3/t8-,9-,16-,17-/m0/s1
InChIKeyJUYMRCCNIQTZTJ-XLMPQJIHSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (31873196)
ChEBI Ontology
Outgoing Relation(s)
Phomochromanone C (CHEBI:223125) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(1S,3S,11S)-3-[(2S)-butan-2-yl]-7-hydroxy-6,11-dimethyl-2,12-dioxatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-4-one