Cafestol (2-hydroxy-,3,4-epoxide, glutathione conjugate) Mrv2104 06072104272D 45 49 0 0 1 0 999 V2000 8.8790 -3.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 -4.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5934 -4.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3079 -4.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3079 -3.2217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5934 -2.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0224 -4.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7368 -4.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7368 -3.2217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0224 -2.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4514 -1.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7369 -1.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0224 -1.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4514 -2.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4513 -3.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1659 -2.3967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3079 -2.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1645 -2.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4220 -5.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6014 -5.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2658 -4.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0053 -5.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1889 -6.0669 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3639 -6.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9514 -6.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3639 -7.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1889 -7.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9514 -8.2103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3639 -8.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1889 -8.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1264 -6.7814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7138 -6.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 -6.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4764 -6.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 -7.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 -7.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1264 -5.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4764 -8.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 -8.9248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 -8.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6014 -8.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6014 -9.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9627 -2.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5784 -3.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5461 -2.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 4 5 1 0 0 0 0 3 4 1 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 9 10 1 0 0 0 0 8 9 1 0 0 0 0 7 8 1 0 0 0 0 4 7 1 0 0 0 0 5 10 1 0 0 0 0 12 13 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 6 0 0 0 9 14 1 6 0 0 0 9 15 1 0 0 0 0 11 16 1 0 0 0 0 5 17 1 6 0 0 0 1 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 3 19 1 0 0 0 0 2 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 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 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 25 31 1 0 0 0 0 35 36 1 0 0 0 0 34 35 1 0 0 0 0 33 34 1 0 0 0 0 32 33 1 0 0 0 0 31 32 1 0 0 0 0 32 37 2 0 0 0 0 35 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 30 41 2 0 0 0 0 30 42 1 0 0 0 0 16 15 1 0 0 0 0 16 43 1 1 0 0 0 16 44 1 6 0 0 0 43 45 1 0 0 0 0 M END