EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70355 - Eriocatisin A

ChEBI IDCHEBI:70355
ChEBI NameEriocatisin A
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
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
InChIInChI=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
InChIKeyBYVWPVXIWCZURJ-PVXVYBLXSA-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)
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-eneChEBI
Citations