Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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
View more database links
Registry Numbers
Types
Sources
3776-39-4
CAS Registry Number
KEGG COMPOUND
3776-39-4
CAS Registry Number
ChemIDplus
Citation
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);