CHEBI:70359 - 3-acetyleriocasin C, (rel)-

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ChEBI Name 3-acetyleriocasin C, (rel)-
ChEBI ID CHEBI:70359
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 C24H34O7
Net Charge 0
Average Mass 434.52260
Monoisotopic Mass 434.23045
InChI InChI=1S/C24H34O7/c1-13(11-25)16-6-7-18-17(10-16)20(28)21(29)22-23(18,4)9-8-19(31-15(3)27)24(22,5)12-30-14(2)26/h11,16-19,21-22,29H,1,6-10,12H2,2-5H3/t16-,17-,18-,19+,21-,22+,23+,24-/m1/s1
InChIKey LKBMNVLYWWORRA-QLKQUVKYSA-N
SMILES [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)CC[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.
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ChEBI Ontology
Outgoing 3-acetyleriocasin C, (rel)- (CHEBI:70359) has role metabolite (CHEBI:25212)
3-acetyleriocasin C, (rel)- (CHEBI:70359) is a 7α-hydroxy steroid (CHEBI:36843)
Synonym Source
rel-6beta,19-diacetoxy-6beta-hydroxy-7,16-dioxo-ent-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: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);