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Mol:FLIF1LNF0009 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
31 35 0 0 0 0 0 0 0 0999 V2000<br />
-1.8894 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-3.4715 1.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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1.7838 -2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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4.0815 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.1056 2.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.1056 2.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 1 0 0 0 0<br />
2 3 2 0 0 0 0<br />
3 4 1 0 0 0 0<br />
4 5 2 0 0 0 0<br />
5 6 1 0 0 0 0<br />
6 1 2 0 0 0 0<br />
4 7 1 0 0 0 0<br />
7 8 1 0 0 0 0<br />
8 9 1 0 0 0 0<br />
9 10 1 0 0 0 0<br />
10 5 1 0 0 0 0<br />
8 11 1 0 0 0 0<br />
11 12 1 0 0 0 0<br />
12 13 2 0 0 0 0<br />
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14 15 2 0 0 0 0<br />
15 16 1 0 0 0 0<br />
16 11 2 0 0 0 0<br />
7 17 2 0 0 0 0<br />
16 18 1 0 0 0 0<br />
18 19 1 0 0 0 0<br />
19 9 1 0 0 0 0<br />
6 20 1 0 0 0 0<br />
20 21 1 0 0 0 0<br />
21 22 1 0 0 0 0<br />
22 1 1 0 0 0 0<br />
21 23 1 0 0 0 0<br />
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13 26 1 0 0 0 0<br />
26 27 1 0 0 0 0<br />
14 28 1 0 0 0 0<br />
28 29 1 0 0 0 0<br />
23 30 1 0 0 0 0<br />
30 31 1 0 0 0 0<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 30 31<br />
M SBL 3 1 34<br />
M SMT 3 CH2OH<br />
M SVB 3 34 -3.0329 2.1462<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 28 29<br />
M SBL 2 1 32<br />
M SMT 2 OCH3<br />
M SVB 2 32 2.3185 -1.6863<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 26 27<br />
M SBL 1 1 30<br />
M SMT 1 OCH3<br />
M SVB 1 30 1.0693 -1.995<br />
S SKP 8<br />
ID FLIF1LNF0009<br />
KNApSAcK_ID C00009579<br />
NAME Amorphigenol<br />
CAS_RN 29360-12-1<br />
FORMULA C23H24O8<br />
EXACTMASS 428.14711774399996<br />
AVERAGEMASS 428.43186000000003<br />
SMILES c(c51)c(c(OC)cc(OCC(C45)Oc(c2C(=O)4)c(C3)c(OC(C(C)(O)CO)3)cc2)1)OC<br />
M END<br />
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