0 0 0 0 0 0 0 0 0 0 0 0
7.9492 3.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2447 3.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0806 2.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0078 2.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2121 0.7957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2849 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9746 4.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5403 3.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2702 4.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1930 6.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3473 3.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1387 6.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8685 7.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2014 8.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0373 10.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6776 9.4213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6776 10.9913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
8 9 1 0 0 0 0
9 1 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
11 12 4 0 0 0 0
12 13 1 0 0 0 0
12 14 4 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 18 1 0 0 0 0
16 19 1 0 0 0 0
14 20 4 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
20 26 4 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
26 32 4 0 0 0 0
32 11 4 0 0 0 0
32 33 1 0 0 0 0
3 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
36 37 4 0 0 0 0
37 38 1 0 0 0 0
37 39 4 0 0 0 0
39 40 1 0 0 0 0
39 41 4 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
43 46 1 0 0 0 0
41 47 4 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
49 52 1 0 0 0 0
47 53 4 0 0 0 0
53 36 4 0 0 0 0
53 54 1 0 0 0 0
34 55 1 0 0 0 0
55 56 1 0 0 0 0
56 1 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
M END
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表木兰脂素A Smile 编码: COC1C(OC)=CC(=CC=1)C2C3C(CO2)C(OC3)C4=CC(OC)=C(OC)C(OC)=C4
表木兰脂素A InChi 编码: InChI=1/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22+/m0/s1
表木兰脂素A InChiKey 编码: MFIHSKBTNZNJIK-RZTYQLBFSA-N
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