Mol:FL2FAANI0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 37 0 0 0 0 0 0 0 0999 V2000 | + | 35 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1318 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1318 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1318 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1318 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5755 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5755 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0192 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0192 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0192 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0192 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5755 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5755 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5371 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5371 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0934 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0934 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0934 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0934 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5371 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5371 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6495 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6495 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2165 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2165 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7834 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7834 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7834 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7834 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2165 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2165 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6495 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6495 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5371 -2.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5371 -2.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5755 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5755 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6879 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6879 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3503 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3503 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5755 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5755 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1316 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1316 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1316 1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1316 1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6877 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6877 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5755 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5755 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2165 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2165 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7833 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7833 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7833 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7833 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2177 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2177 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3489 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3489 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6879 -1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6879 -1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2428 -1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2428 -1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -1.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -1.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3503 -1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3503 -1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANI0009 | + | ID FL2FAANI0009 |
| − | KNApSAcK_ID C00008269 | + | KNApSAcK_ID C00008269 |
| − | NAME Amorilin | + | NAME Amorilin |
| − | CAS_RN 83474-69-5 | + | CAS_RN 83474-69-5 |
| − | FORMULA C30H36O5 | + | FORMULA C30H36O5 |
| − | EXACTMASS 476.256274262 | + | EXACTMASS 476.256274262 |
| − | AVERAGEMASS 476.60384000000005 | + | AVERAGEMASS 476.60384000000005 |
| − | SMILES C(Cc(c1O)c(c(c(O2)c1C(=O)CC2c(c3)cc(CC=C(C)C)c(c3)O)CC=C(C)C)O)=C(C)C | + | SMILES C(Cc(c1O)c(c(c(O2)c1C(=O)CC2c(c3)cc(CC=C(C)C)c(c3)O)CC=C(C)C)O)=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 0 0 0 0 0 0999 V2000
-1.1318 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1318 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -2.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6879 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3503 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1316 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1316 1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6877 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7833 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7833 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3489 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6879 -1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2428 -1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3503 -1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
2 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FL2FAANI0009
KNApSAcK_ID C00008269
NAME Amorilin
CAS_RN 83474-69-5
FORMULA C30H36O5
EXACTMASS 476.256274262
AVERAGEMASS 476.60384000000005
SMILES C(Cc(c1O)c(c(c(O2)c1C(=O)CC2c(c3)cc(CC=C(C)C)c(c3)O)CC=C(C)C)O)=C(C)C
M END
