Alphitolic acid (3-O-trans-p-coumaroyl-) Mrv2104 06072104192D 45 50 0 0 0 0 999 V2000 1.0765 -1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 -1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0765 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0765 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 -0.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8085 3.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5541 2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7471 2.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 -0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7916 0.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 0.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1054 1.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9263 1.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6486 0.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4021 0.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6486 -0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 -2.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8923 -2.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 -1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 -1.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -1.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4886 -0.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7818 -2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7818 -3.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2104 -2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9254 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9254 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6403 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6403 -2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0702 -0.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 13 1 0 0 0 0 4 26 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 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 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 34 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 42 45 1 0 0 0 0 43 44 2 0 0 0 0 M END