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CHEBI:70358 - Eriocasin D

ChEBI IDCHEBI:70358
ChEBI NameEriocasin D
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILES[H][C@@]12CC[C@@H](C(=C)C=O)C[C@@]1([H])C(=O)[C@@H](O)[C@]1([H])[C@](C)(COC(C)=O)CC[C@H](O)[C@@]21C
InChIInChI=1S/C22H32O6/c1-12(10-23)14-5-6-16-15(9-14)18(26)19(27)20-21(3,11-28-13(2)24)8-7-17(25)22(16,20)4/h10,14-17,19-20,25,27H,1,5-9,11H2,2-4H3/t14-,15-,16-,17+,19-,20-,21+,22-/m1/s1
InChIKeyHYXIZWTUHCHPMV-HQNQHPRXSA-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 D (CHEBI:70358) has role metabolite (CHEBI:25212)
Eriocasin D (CHEBI:70358) is a diterpenoid (CHEBI:23849)
Synonym  Source
19-acetoxy-1alpha,6beta-dihydroxy-7,16-dioxo-ent-abieta-15(17)-eneChEBI
Citations