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CHEBI:70375 - kamebacetal A

ChEBI IDCHEBI:70375
ChEBI Namekamebacetal A
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILES[H][C@@]12CC[C@]3([H])C(=C)C(=O)[C@]1([C@H]1C[C@]4([H])C(C)(C)CC[C@H](O)[C@@]24[C@@H](OC)O1)[C@@H]3O
InChIInChI=1S/C21H30O5/c1-10-11-5-6-12-20-13(19(2,3)8-7-14(20)22)9-15(26-18(20)25-4)21(12,16(10)23)17(11)24/h11-15,17-18,22,24H,1,5-9H2,2-4H3/t11-,12+,13-,14+,15-,17-,18+,20-,21+/m1/s1
InChIKeyHZXIWBLGRBHNQF-ZVXCJKLWSA-N
Species of MetaboliteComponentSourceComments
Isodon eriocalyx (IPNI:448573-1) aerial part (BTO:0001658) PubMed (20949916) 70% aqueous Me2CO 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)
kamebacetal A (CHEBI:70375) has role metabolite (CHEBI:25212)
kamebacetal A (CHEBI:70375) is a kaurane diterpenoid (CHEBI:53666)
Citations