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CHEBI:67683 - Xerophilusin XII

ChEBI IDCHEBI:67683
ChEBI NameXerophilusin XII
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H30O7
Net Charge0
Average Mass394.464
Monoisotopic Mass394.19915
SMILES[H][C@@]12[C@@H](O)C[C@]3([H])C(=C)C(=O)[C@@]1([C@@H]3O)[C@]1(O)O[C@H](OC)[C@]23CCCC(C)(C)[C@@]3([H])[C@@H]1O
InChIInChI=1S/C21H30O7/c1-9-10-8-11(22)12-19-7-5-6-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(12,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11+,12+,13-,15-,16+,17+,19-,20+,21-/m1/s1
InChIKeyXHYABSFBWXRDOI-KVTWQIASSA-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 XII (CHEBI:67683) has role metabolite (CHEBI:25212)
Xerophilusin XII (CHEBI:67683) is a kaurane diterpenoid (CHEBI:53666)
Citations