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CHEBI:218177 - Sphestrin

ChEBI IDCHEBI:218177
ChEBI NameSphestrin
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SubmitterMetaboLights
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FormulaC27H39NO4
Net Charge0
Average Mass441.612
Monoisotopic Mass441.28791
SMILESC/C(=C\C=C\C(C)CCCC(C)CCCO)CCOC(=O)c1c(CO)nc2ccccc12
InChIInChI=1S/C27H39NO4/c1-20(9-6-11-21(2)13-8-17-29)10-7-12-22(3)16-18-32-27(31)26-23-14-4-5-15-24(23)28-25(26)19-30/h4-5,7,10,12,14-15,20-21,28-30H,6,8-9,11,13,16-19H2,1-3H3/b10-7+,22-12+
InChIKeyUTVUOSLCXPYQHO-SMVGYKGESA-N
Species of MetaboliteComponentSourceComments
Rhodobacter (ncbitaxon:1060) - PubMed (15726442)
ChEBI Ontology
Outgoing Relation(s)
Sphestrin (CHEBI:218177) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(3E,5E)-14-hydroxy-3,7,11-trimethyltetradeca-3,5-dienyl] 2-(hydroxymethyl)-1H-indole-3-carboxylate
Manual XrefsDatabases
78435409ChemSpider