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CHEBI:70360 - 3beta-Acetoxyeriocasin D

ChEBI IDCHEBI:70360
ChEBI Name3beta-Acetoxyeriocasin D
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H34O8
Net Charge0
Average Mass450.528
Monoisotopic Mass450.22537
SMILES[H][C@@]12CC[C@@H](C(=C)C=O)C[C@@]1([H])C(=O)[C@@H](O)[C@@]1([H])[C@@]2(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]1(C)COC(C)=O
InChIInChI=1S/C24H34O8/c1-12(10-25)15-6-7-17-16(8-15)20(29)21(30)22-23(4,11-31-13(2)26)19(32-14(3)27)9-18(28)24(17,22)5/h10,15-19,21-22,28,30H,1,6-9,11H2,2-5H3/t15-,16-,17-,18+,19+,21-,22-,23-,24-/m1/s1
InChIKeyMTEJSIXALGJBGG-JWWKOUDBSA-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)
3beta-Acetoxyeriocasin D (CHEBI:70360) has role metabolite (CHEBI:25212)
3beta-Acetoxyeriocasin D (CHEBI:70360) is a 7α-hydroxy steroid (CHEBI:36843)
Synonym  Source
3beta,19-diacetoxy-1alpha,6beta-dihydroxy-7,16-dioxoent-abieta-15(17)-eneChEBI
Citations