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CHEBI:199408 - Fomitellanol A

ChEBI IDCHEBI:199408
ChEBI NameFomitellanol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O5
Net Charge0
Average Mass328.364
Monoisotopic Mass328.13107
SMILESCC(C)O[C@H]1Oc2ccc(O)c3c2[C@@]1(C)[C@H]1C(=O)C=C(CO)C1=C3
InChIInChI=1S/C19H20O5/c1-9(2)23-18-19(3)16-11(10(8-20)6-14(16)22)7-12-13(21)4-5-15(24-18)17(12)19/h4-7,9,16,18,20-21H,8H2,1-3H3/t16-,18+,19-/m1/s1
InChIKeyORBWSHDOOZYCPR-NZSAHSFTSA-N
Species of MetaboliteComponentSourceComments
Fomitella (ncbitaxon:227964) - PubMed (23571531)
ChEBI Ontology
Outgoing Relation(s)
Fomitellanol A (CHEBI:199408) is a naphthols (CHEBI:25392)
IUPAC Name 
(1R,2S,14S)-9-hydroxy-5-(hydroxymethyl)-1-methyl-14-propan-2-yloxy-13-oxatetracyclo[6.6.1.02,6.012,15]pentadeca-4,6,8,10,12(15)-pentaen-3-one
Manual XrefsDatabases
78436500ChemSpider