EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70376 - henryin

Default Structure
ChEBI IDCHEBI:70376
ChEBI Namehenryin
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILES[H][C@@]12CC[C@]3([H])C(=C)C(=O)[C@]1([C@H](O)C[C@]1([H])C(C)(C)CC[C@H](O)[C@@]21COC(C)=O)[C@@H]3O
InChIInChI=1S/C22H32O6/c1-11-13-5-6-14-21(10-28-12(2)23)15(20(3,4)8-7-16(21)24)9-17(25)22(14,18(11)26)19(13)27/h13-17,19,24-25,27H,1,5-10H2,2-4H3/t13-,14+,15-,16+,17-,19-,21+,22+/m1/s1
InChIKeyFWBSIMCZPHJUNZ-SPYHJPNNSA-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)
henryin (CHEBI:70376) has role metabolite (CHEBI:25212)
henryin (CHEBI:70376) is a kaurane diterpenoid (CHEBI:53666)
Citations