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

ChEBI IDCHEBI:70359
ChEBI Name3-acetyleriocasin C, (rel)-
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H34O7
Net Charge0
Average Mass434.529
Monoisotopic Mass434.23045
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)CC[C@H](OC(C)=O)[C@@]1(C)COC(C)=O
InChIInChI=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
InChIKeyLKBMNVLYWWORRA-QLKQUVKYSA-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)
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)-eneChEBI
Citations