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Version 1.4
Chemical Structure Search
Structure Search
Molecular Weight
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HMDB03219.mol Mrv2104 06072104272D 35 40 0 0 0 0 999 V2000 -3.5277 -0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5277 -1.6771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8133 -2.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 -1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 -0.8521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8133 -0.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 -2.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 -1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 -0.8521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3843 -0.4396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0446 -0.4396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0446 0.3854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6698 0.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 0.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 -0.0271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8292 0.6403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0988 0.2278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 1.0528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3142 1.3077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8133 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5277 0.2278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5277 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8133 1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2397 -2.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 -0.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1306 1.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 -1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1306 -1.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6157 -0.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 2.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0129 1.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7974 -0.6923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 2 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 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 2 25 1 1 0 0 0 5 26 1 1 0 0 0 9 27 1 1 0 0 0 12 28 1 1 0 0 0 10 29 1 6 0 0 0 11 30 1 6 0 0 0 17 31 1 6 0 0 0 20 32 1 6 0 0 0 19 33 1 6 0 0 0 22 34 1 6 0 0 0 16 35 1 6 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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PHUB000851
Score: 1.0
Solanidine
precursor
metabolite
C
27
H
43
NO
Mono mass: 397.334465009