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CHEBI:70361 - Eriocasin E

Default Structure
ChEBI IDCHEBI:70361
ChEBI NameEriocasin E
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILES[H][C@@]12[C@H](OC(C)=O)C[C@@H](C(=C)CO)C[C@@]1([H])C(=O)[C@@H](O)[C@]1([H])C(C)(C)CCC[C@@]21C
InChIInChI=1S/C22H34O5/c1-12(11-23)14-9-15-17(16(10-14)27-13(2)24)22(5)8-6-7-21(3,4)20(22)19(26)18(15)25/h14-17,19-20,23,26H,1,6-11H2,2-5H3/t14-,15+,16+,17-,19+,20+,22-/m0/s1
InChIKeyLSHXXXQWPVHVRD-XONTYPPSSA-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)
Eriocasin E (CHEBI:70361) has role metabolite (CHEBI:25212)
Eriocasin E (CHEBI:70361) is a diterpenoid (CHEBI:23849)
Synonym  Source
11alpha-acetoxy-6beta,16-dihydroxy-7-oxo-ent-abieta-15(17)-eneChEBI
Citations