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Version 1.4
Chemical Structure Search
Structure Search
Molecular Weight
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Mrv2104 06072104352D 25 27 0 0 0 0 999 V2000 6.8985 -1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 -1.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4234 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5028 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7718 -0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 -0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0329 -0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6934 0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -2.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3724 -0.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2195 -0.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 -0.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4342 -1.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9322 -1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2717 -1.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 -1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 -2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 -1.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9807 1.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -3.0706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7978 -2.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7755 -3.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 -2.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 5 1 0 0 0 0 7 5 1 0 0 0 0 11 1 1 0 0 0 0 11 2 1 0 0 0 0 12 8 2 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 17 16 1 0 0 0 0 19 3 1 0 0 0 0 19 4 1 0 0 0 0 19 6 1 0 0 0 0 19 14 1 0 0 0 0 20 7 1 0 0 0 0 20 14 1 0 0 0 0 20 15 1 0 0 0 0 20 18 1 0 0 0 0 21 9 2 0 0 0 0 22 10 2 0 0 0 0 23 16 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 25 18 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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PHUB002026
Score: 1.0
Rosmadial
precursor
C
20
H
24
O
5
Mono mass: 344.162373873