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CHEBI:175500 - Erinacine B

ChEBI IDCHEBI:175500
ChEBI NameErinacine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O6
Net Charge0
Average Mass432.557
Monoisotopic Mass432.25119
SMILESCC(C)C1=C2C3CC=C(C=O)C4OC5C(OCC(O)C5O)OC4C3(C)CCC2(C)CC1
InChIInChI=1S/C25H36O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,11,13,16-17,19-23,27-28H,6-10,12H2,1-4H3
InChIKeyBEECYWPPXWUPIT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/s0040-4039(00)76760-8)
ChEBI Ontology
Outgoing Relation(s)
Erinacine B (CHEBI:175500) is a diterpenoid (CHEBI:23849)
IUPAC Names 
17,18-dihydroxy-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-13-carbaldehyde
(1R,2R,5R,10R,14R,16R,17S,18R,21S)-17,18-dihydroxy-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-13-carbaldehyde
Manual XrefsDatabases
7999882ChemSpider
HMDB0040390HMDB
8155853ChemSpider