4-Sinapoylquinic acid Mrv2104 06072104232D 28 29 0 0 1 0 999 V2000 -1.5878 -6.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8733 -6.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -6.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -6.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -6.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9845 -6.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -6.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 -6.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -6.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 -5.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1279 -5.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1279 -4.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 -3.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8424 -3.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 -4.1789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8390 -3.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 -5.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8424 -5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8424 -6.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3693 -4.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8996 -3.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -5.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -7.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -7.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -8.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -9.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -7.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8734 -7.8914 0.0000 O 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 18 17 1 0 0 0 0 18 11 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 5 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 2 0 0 0 0 3 27 1 0 0 0 0 27 28 1 0 0 0 0 15 20 1 0 0 0 0 12 13 1 0 0 0 0 11 10 1 0 0 0 0 18 19 1 0 0 0 0 M END