3-Sinapoylquinic acid Mrv2104 06072104232D 28 29 0 0 1 0 999 V2000 1.5690 -4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -4.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2834 -5.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2834 -6.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0959 -5.9558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -6.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8545 -6.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -6.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5744 -6.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5744 -5.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 -6.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1139 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8545 -5.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -4.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 -6.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3781 -7.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 -7.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 13 22 1 0 0 0 0 23 7 1 0 0 0 0 23 1 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 7 8 1 0 0 0 0 23 24 1 0 0 0 0 1 2 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 21 28 1 0 0 0 0 M END