CHEBI:70355 - Eriocatisin A

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ChEBI Name Eriocatisin A
ChEBI ID CHEBI:70355
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 C22H32O5
Net Charge 0
Average Mass 376.48650
Monoisotopic Mass 376.22497
InChI InChI=1S/C22H32O5/c1-12-14-8-16-21(4)7-5-6-20(3,11-27-13(2)23)15(21)10-18(25)22(16,19(12)26)17(24)9-14/h14-17,19,24,26H,1,5-11H2,2-4H3/t14-,15-,16+,17-,19-,20+,21-,22+/m1/s1
InChIKey BYVWPVXIWCZURJ-PVXVYBLXSA-N
SMILES [H][C@]12CC(=O)[C@@]34[C@H](O)C[C@@H](C[C@@]3([H])[C@]1(C)CCC[C@@]2(C)COC(C)=O)C(=C)[C@H]4O
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 Eriocatisin A (CHEBI:70355) has parent hydride atisane (CHEBI:36471)
Eriocatisin A (CHEBI:70355) has role metabolite (CHEBI:25212)
Eriocatisin A (CHEBI:70355) is a diterpenoid (CHEBI:23849)
Synonym Source
19-acetoxy-14beta,15beta-dihydroxy-7-oxo-entatis-16-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: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);