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Version 1.4
Chemical Structure Search
Structure Search
Molecular Weight
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Mrv2104 06072104192D 22 24 0 0 1 0 999 V2000 15.6085 -12.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9059 -11.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0284 -11.6698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7425 -12.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1691 -11.6767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1725 -10.8460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3865 -11.9272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6040 -11.6734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8934 -12.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3865 -10.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8934 -10.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3830 -12.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3144 -12.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6040 -10.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1622 -13.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1656 -10.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5833 -12.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3241 -12.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3110 -11.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7425 -12.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4564 -11.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5971 -12.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 1 0 0 0 1 15 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 1 0 0 0 7 12 1 0 0 0 0 7 17 1 6 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 22 1 6 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 20 21 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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PHUB000143
Score: 1.0
Phytuberin
precursor
C
17
H
26
O
4
Mono mass: 294.183109317