CHEBI:70357 - Eriocasin C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Eriocasin C
ChEBI ID CHEBI:70357
Definition A natural product found in Isodon eriocalyx.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H32O6
Net Charge 0
Average Mass 392.48590
Monoisotopic Mass 392.21989
InChI InChI=1S/C22H32O6/c1-12(10-23)14-5-6-16-15(9-14)18(26)19(27)20-21(16,3)8-7-17(25)22(20,4)11-28-13(2)24/h10,14-17,19-20,25,27H,1,5-9,11H2,2-4H3/t14-,15-,16-,17+,19-,20+,21+,22-/m1/s1
InChIKey JZFWRUQOQHVXDM-UDTDVKRRSA-N
SMILES [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)CC[C@H](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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Eriocasin C (CHEBI:70357) has role metabolite (CHEBI:25212)
Eriocasin C (CHEBI:70357) is a 7α-hydroxy steroid (CHEBI:36843)
Synonym Source
19-acetoxy-3beta,6beta-dihydroxy-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);