Toggle navigation
SMPDB
Browse SMPDB
Pathways
Table of Primary Pathways
Compounds
Proteins
Search
TextQuery Search Instructions
SMP-MAP Advanced Search
ChemQuery Structure Search
Molecular Weight Search
Sequence Search
About
About SMPDB
Release Notes
Citing SMPDB
Statistics
Other Databases
Pathway Legend
Pathway Category Definitions
PathWhiz
Downloads
Contact Us
Quantitative metabolomics services for biomarker discovery and validation.
Specializing in ready to use metabolomics kits.
Your source for quantitative metabolomics technologies and bioinformatics.
ChemQuery
Search by structure
Structure Search
Molecular Weight
Search Options
Similarity
Substructure
Exact
Similarity threshold
Molecular Weight Filter
to
Maximum Results
100
200
500
1000
Search
Load example
MarvinJS Tutorials
2-Methoxyestrone.mol Mrv1652305251820232D 25 28 0 0 0 0 999 V2000 -1.7065 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 -1.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 -0.5198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8659 -0.1073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6505 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6505 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 1.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 0.7177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8659 1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -0.1073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2775 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 -0.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1354 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -0.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 0.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 -0.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 1 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 9 19 1 0 0 0 0 19 20 1 0 0 0 0 4 20 1 0 0 0 0 6 20 2 0 0 0 0 21 22 1 0 0 0 0 3 21 1 0 0 0 0 19 23 1 6 0 0 0 9 24 1 1 0 0 0 10 25 1 6 0 0 0 M END
