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Version 1.4
Chemical Structure Search
Structure Search
Molecular Weight
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Mrv2104 06072104262D 13 14 0 0 0 0 999 V2000 16.3029 -15.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5868 -15.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0122 -15.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3098 -14.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8741 -15.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5868 -16.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0122 -16.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7249 -15.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5971 -13.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8810 -14.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1579 -15.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3029 -16.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4410 -15.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 8 13 2 0 0 0 0 7 12 2 0 0 0 0 9 10 1 0 0 0 0 M END
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(+)-Catechin Mrv1572001071604202D 21 23 0 0 1 0 999 V2000 2.0414 -2.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3269 -2.2589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6125 -2.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 -2.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 -3.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -2.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2454 -1.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -1.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3269 -1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0414 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0414 -0.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7559 0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4703 -0.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 0.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4703 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7559 -1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 4 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 2 13 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 14 20 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 10 11 1 0 0 0 0 8 7 1 0 0 0 0 4 5 1 0 0 0 0 M END
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PHUB000828
Score: 1.0
Gentianine
precursor
C
10
H
9
NO
2
Mono mass: 175.063328534