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CHEBI:67668 - Xerophilusin J

ChEBI IDCHEBI:67668
ChEBI NameXerophilusin J
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H30O8
Net Charge0
Average Mass422.474
Monoisotopic Mass422.19407
SMILES[H][C@@]12CC[C@]3([H])C(=C)C(=O)[C@@]1([C@@H]3O)[C@]1(O)OC(O)[C@]23[C@@H](OC(C)=O)CCC(C)(C)[C@@]3([H])[C@@H]1O
InChIInChI=1S/C22H30O8/c1-9-11-5-6-12-20-13(29-10(2)23)7-8-19(3,4)14(20)17(26)22(28,30-18(20)27)21(12,15(9)24)16(11)25/h11-14,16-18,25-28H,1,5-8H2,2-4H3/t11-,12+,13+,14-,16-,17+,18?,20+,21+,22-/m1/s1
InChIKeyWASCTSNYBVCLTC-GOHJPJHGSA-N
Species of MetaboliteComponentSourceComments
Isodon adenolomus (ncbitaxon:662903) aerial part (BTO:0001658) PubMed (21534539) 70% aqueous acetone extract of air-dried and powdered aerial parts
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Xerophilusin J (CHEBI:67668) has role metabolite (CHEBI:25212)
Xerophilusin J (CHEBI:67668) is a kaurane diterpenoid (CHEBI:53666)
Citations