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CHEBI:202330 - Hanagokenol B

ChEBI IDCHEBI:202330
ChEBI NameHanagokenol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESCC(C)c1cc(C(=O)O)c([C@@]2(C)CCC[C@@]3(C)COC(=O)[C@@H]32)cc1O
InChIInChI=1S/C20H26O5/c1-11(2)12-8-13(17(22)23)14(9-15(12)21)20(4)7-5-6-19(3)10-25-18(24)16(19)20/h8-9,11,16,21H,5-7,10H2,1-4H3,(H,22,23)/t16-,19-,20+/m0/s1
InChIKeyXEYFSNHIPLMFRB-FFZOFVMBSA-N
Species of MetaboliteComponentSourceComments
Cladonia rangiferina (ncbitaxon:111670) - PubMed (18175983)
ChEBI Ontology
Outgoing Relation(s)
Hanagokenol B (CHEBI:202330) is a terpene lactone (CHEBI:37668)
IUPAC Name 
2-[(3aR,4S,7aR)-4,7a-dimethyl-3-oxo-3a,5,6,7-tetrahydro-1H-2-benzouran-4-yl]-4-hydroxy-5-propan-2-ylbenzoic acid
Manual XrefsDatabases
78436853ChemSpider