CHEBI:70360 - 3beta-Acetoxyeriocasin D

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ChEBI Name 3beta-Acetoxyeriocasin D
ChEBI ID CHEBI:70360
Definition A natural product found in Isodon eriocalyx.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H34O8
Net Charge 0
Average Mass 450.52200
Monoisotopic Mass 450.22537
InChI InChI=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
InChIKey MTEJSIXALGJBGG-JWWKOUDBSA-N
SMILES [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)[C@@H](O)C[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O
Metabolite of Species Details
Isodon eriocalyx (IPNI:448573-1) Found in aerial part (BTO:0001658). 70% aqueous Me2CO extract of air-dried and powdered aerial parts See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)-ene ChEBI
Citation Waiting for Citations Type Source
20949916 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:11beta-hydroxy steroid(CHEBI:35346); ISA:diterpenoid(CHEBI:23849); ISA:phenanthrenes(CHEBI:25961); ISA:cyclohexanones(CHEBI:23482); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:aldehyde(CHEBI:17478);