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CHEBI:199514 - Expansol B

ChEBI IDCHEBI:199514
ChEBI NameExpansol B
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SubmitterMetaboLights
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FormulaC29H36O5
Net Charge0
Average Mass464.602
Monoisotopic Mass464.25627
SMILESCc1cc(O)cc(Oc2cc(C)c(Cc3ccc([C@@](C)(O)CCCC(C)C)c(O)c3)c(O)c2)c1
InChIInChI=1S/C29H36O5/c1-18(2)7-6-10-29(5,33)26-9-8-21(15-28(26)32)14-25-20(4)13-24(17-27(25)31)34-23-12-19(3)11-22(30)16-23/h8-9,11-13,15-18,30-33H,6-7,10,14H2,1-5H3/t29-/m0/s1
InChIKeyGGHNFGXGXUVHRJ-LJAQVGFWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (20415462)
ChEBI Ontology
Outgoing Relation(s)
Expansol B (CHEBI:199514) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[[3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenyl]methyl]-5-(3-hydroxy-5-methylphenoxy)-3-methylphenol
Manual XrefsDatabases
27024811ChemSpider