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CHEBI:222050 - Fomitellanol B

ChEBI IDCHEBI:222050
ChEBI NameFomitellanol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESCC(=O)OCC1=CC(=O)[C@H]2C1=Cc1c(O)ccc3c1[C@]2(C)[C@@H](OC(C)C)O3
InChIInChI=1S/C21H22O6/c1-10(2)26-20-21(4)18-13(12(7-16(18)24)9-25-11(3)22)8-14-15(23)5-6-17(27-20)19(14)21/h5-8,10,18,20,23H,9H2,1-4H3/t18-,20+,21-/m1/s1
InChIKeyPQWNJFSAYCHZIJ-HLAWJBBLSA-N
Species of MetaboliteComponentSourceComments
Fomitella (ncbitaxon:227964) - PubMed (23571531)
ChEBI Ontology
Outgoing Relation(s)
Fomitellanol B (CHEBI:222050) is a naphthols (CHEBI:25392)
IUPAC Name 
[(1R,2S,14S)-9-hydroxy-1-methyl-3-oxo-14-propan-2-yloxy-13-oxatetracyclo[6.6.1.02,6.012,15]pentadeca-4,6,8,10,12(15)-pentaen-5-yl]methyl acetate
Manual XrefsDatabases
78437688ChemSpider