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CHEBI:209512 - Phomophyllin N

Default Structure
ChEBI IDCHEBI:209512
ChEBI NamePhomophyllin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCc1c(O)cc2c(c1CO)[C@](C)(CO)CC2(C)C
InChIInChI=1S/C15H22O3/c1-9-10(6-16)13-11(5-12(9)18)14(2,3)7-15(13,4)8-17/h5,16-18H,6-8H2,1-4H3/t15-/m0/s1
InChIKeyLUTQJGAFKHCXLT-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (29771527)
ChEBI Ontology
Outgoing Relation(s)
Phomophyllin N (CHEBI:209512) is a indanes (CHEBI:46940)
IUPAC Name 
(1R)-1,7-bis(hydroxymethyl)-1,3,3,6-tetramethyl-2H-inden-5-ol
Manual XrefsDatabases
78439073ChemSpider