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:6895 - Methysticin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Methysticin
ChEBI ID
CHEBI:6895
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C15H14O5
Net Charge
0
Average Mass
274.269
Monoisotopic Mass
274.08412
InChI
InChI=1S/C15H14O5/c1-
17-
12-
7-
11(20-
15(16)
8-
12)
4-
2-
10-
3-
5-
13-
14(6-
10)
19-
9-
18-
13/h2-
6,8,11H,7,9H2,1H3/b4-
2+/t11-
/m0/s1
InChIKey
GTEXBOVBADJOQH-FWEMWIAWSA-N
SMILES
COC1=CC(=O)O[C@H](C1)\C=C\c1ccc2OCOc2c1
ChEBI Ontology
Outgoing
Methysticin (
CHEBI:6895
)
is a
2-pyranones (
CHEBI:75885
)
Methysticin (
CHEBI:6895
)
is a
aromatic ether (
CHEBI:35618
)
Synonym
Source
Methysticin
KEGG COMPOUND
Manual Xrefs
Databases
C00003005
KNApSAcK
C09952
KEGG COMPOUND
View more database links
Registry Number
Type
Source
495-85-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014