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CHEBI:198775 - Craterellin B

ChEBI IDCHEBI:198775
ChEBI NameCraterellin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCC1=CCC2C(C)(C)C(O)CCC2(C)C1CC12OC1C(O)C(CO)=CC2O
InChIInChI=1S/C22H34O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h5,9,14-19,23-26H,6-8,10-11H2,1-4H3
InChIKeyLDAZYRRHJUYLLK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Craterellus odoratus (ncbitaxon:57198) - PubMed (19879607)
ChEBI Ontology
Outgoing Relation(s)
Craterellin B (CHEBI:198775) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
1-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
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78444618ChemSpider