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CHEBI:67681 - Nervosanin A

ChEBI IDCHEBI:67681
ChEBI NameNervosanin A
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H32O6
Net Charge0
Average Mass380.481
Monoisotopic Mass380.21989
SMILES[H][C@]12CC[C@]3([H])[C@@](C1)(C(=O)[C@@H]2COC)[C@]1(O)OC[C@]32[C@@H](O)CCC(C)(C)[C@@]2([H])[C@@H]1O
InChIInChI=1S/C21H32O6/c1-18(2)7-6-14(22)19-10-27-21(25,17(24)15(18)19)20-8-11(4-5-13(19)20)12(9-26-3)16(20)23/h11-15,17,22,24-25H,4-10H2,1-3H3/t11-,12+,13-,14-,15+,17-,19+,20-,21+/m0/s1
InChIKeyNHFCLVQJGBUOLF-SSTJTVCQSA-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)
Nervosanin A (CHEBI:67681) has role metabolite (CHEBI:25212)
Nervosanin A (CHEBI:67681) is a kaurane diterpenoid (CHEBI:53666)
Citations