Mol:FL1C1ANI0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 30 0 0 0 0 0 0 0 0999 V2000 | + | 29 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2831 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2831 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2831 -1.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2831 -1.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8366 -1.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8366 -1.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3900 -1.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3900 -1.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3900 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3900 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8366 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8366 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7297 -0.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7297 -0.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8366 -2.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8366 -2.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9435 -1.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9435 -1.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4969 -1.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4969 -1.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9435 -2.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9435 -2.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4969 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4969 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0504 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0504 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4132 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4132 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8768 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8768 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8768 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8768 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4132 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4132 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0504 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0504 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4132 0.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4132 0.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0702 1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0702 1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0702 1.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0702 1.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5223 1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5223 1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3190 2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3190 2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3254 0.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3254 0.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3400 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3400 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8032 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8032 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2665 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2665 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7297 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7297 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2665 -1.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2665 -1.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 3 8 1 0 0 0 0 | + | 3 8 1 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0001 | + | ID FL1C1ANI0001 |
| − | KNApSAcK_ID C00002371 | + | KNApSAcK_ID C00002371 |
| − | NAME Abyssinone VI | + | NAME Abyssinone VI |
| − | CAS_RN 77263-12-8 | + | CAS_RN 77263-12-8 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES c(c1C=CC(=O)c(c2O)ccc(c2)O)c(CC=C(C)C)c(O)c(c1)CC=C(C)C | + | SMILES c(c1C=CC(=O)c(c2O)ccc(c2)O)c(CC=C(C)C)c(O)c(c1)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 30 0 0 0 0 0 0 0 0999 V2000
-2.2831 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2831 -1.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8366 -1.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3900 -1.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3900 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8366 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7297 -0.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8366 -2.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9435 -1.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4969 -1.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9435 -2.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4969 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0504 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8768 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8768 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0504 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 0.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0702 1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0702 1.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5223 1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3254 0.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3400 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8032 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2665 -0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7297 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2665 -1.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
3 8 1 0 0 0 0
4 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
10 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
16 24 1 0 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL1C1ANI0001
KNApSAcK_ID C00002371
NAME Abyssinone VI
CAS_RN 77263-12-8
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES c(c1C=CC(=O)c(c2O)ccc(c2)O)c(CC=C(C)C)c(O)c(c1)CC=C(C)C
M END
