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CHEBI:67685 - Longikaurin D

ChEBI IDCHEBI:67685
ChEBI NameLongikaurin D
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H30O7
Net Charge0
Average Mass406.475
Monoisotopic Mass406.19915
SMILES[H][C@]12C[C@@H](O)[C@@]3([H])[C@]45CCC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)C2=C
InChIInChI=1S/C22H30O7/c1-11-13-7-14(24)15-20-6-4-5-19(3,9-28-12(2)23)16(20)18(26)22(27,29-10-20)21(15,8-13)17(11)25/h13-16,18,24,26-27H,1,4-10H2,2-3H3/t13-,14+,15-,16+,18-,19-,20+,21-,22+/m0/s1
InChIKeyXQPBZGQNCZAVQT-QRQZOQOPSA-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)
Longikaurin D (CHEBI:67685) has role metabolite (CHEBI:25212)
Longikaurin D (CHEBI:67685) is a kaurane diterpenoid (CHEBI:53666)
Manual XrefsDatabases
23311645ChemSpider
Citations