CHEBI:70378 - Enmein

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Enmein
ChEBI ID CHEBI:70378
Definition A natural product found in Isodon eriocalyx.
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:4795
Supplier Information
Download Molfile XML SDF
Formulae C20H26O6
C20H26O6
Net Charge 0
Average Mass 362.41680
Monoisotopic Mass 362.17294
InChI InChI=1S/C20H26O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14-,16-,19+,20-/m1/s1
InChIKey MQOJPNKACWKUGI-CDKPERABSA-N
SMILES [H][C@]12C[C@H](O)C(C)(C)[C@@]3([H])[C@H](O)OC[C@@]13[C@]1([H])CC[C@@H]3C[C@@]1(C(=O)O2)C(=O)C3=C
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 Enmein (CHEBI:70378) has role metabolite (CHEBI:25212)
Enmein (CHEBI:70378) is a δ-lactone (CHEBI:18946)
Synonyms Sources
5H-5a,8-Methano-11H-cyclohepta(c)furo(3,4-e)(1)benzopyran-5,6(7H)-dione, decahydro-2,13-dihydroxy-1,1-dimethyl-7-methylene-, (2S,3as,5as,7R,8R,10aS,10bS,13R,13aR)- ChEBI
Enmein KEGG COMPOUND
Isodonine ChEBI
Sculponeatin D ChEBI
Manual Xrefs Databases
C00003424 KNApSAcK
C09090 KEGG COMPOUND
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Registry Numbers Types Sources
3776-39-4 CAS Registry Number KEGG COMPOUND
3776-39-4 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
20949916 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oxanes(CHEBI:46942); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:ketone(CHEBI:17087); ISA:hemiacetal(CHEBI:5653); ISA:carboxylic ester(CHEBI:33308); ISA:monocarboxylic acid(CHEBI:25384);