Mol:FL1CBCNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8706 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8706 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8706 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8706 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3143 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3143 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7580 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7580 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7580 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7580 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3143 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3143 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2017 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2017 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3546 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3546 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9107 -0.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9107 -0.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4668 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4668 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0278 -0.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0278 -0.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5888 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5888 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5888 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5888 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0278 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0278 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4668 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4668 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2017 -0.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2017 -0.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3143 -1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3143 -1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2049 -0.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2049 -0.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5857 0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5857 0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2049 0.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2049 0.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4269 0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4269 0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9832 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9832 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9832 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9832 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4269 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4269 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3341 1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3341 1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5857 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5857 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2019 0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2019 0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5126 0.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5126 0.4075 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 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 13 1 0 0 0 0 | + | 20 13 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 5 27 1 0 0 0 0 | + | 5 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 30 -4.9404 4.0994 | + | M SBV 1 30 -4.9404 4.0994 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CBCNP0001 | + | ID FL1CBCNP0001 |
| − | KNApSAcK_ID C00007036 | + | KNApSAcK_ID C00007036 |
| − | NAME Glabrachromene I | + | NAME Glabrachromene I |
| − | CAS_RN 40958-05-2 | + | CAS_RN 40958-05-2 |
| − | FORMULA C22H20O6 | + | FORMULA C22H20O6 |
| − | EXACTMASS 380.125988372 | + | EXACTMASS 380.125988372 |
| − | AVERAGEMASS 380.3906 | + | AVERAGEMASS 380.3906 |
| − | SMILES C(O1)(C=Cc(c2O)c1cc(OC)c(C(C=Cc(c4)ccc(c43)OCO3)=O)2)(C)C | + | SMILES C(O1)(C=Cc(c2O)c1cc(OC)c(C(C=Cc(c4)ccc(c43)OCO3)=O)2)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.8706 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8706 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3143 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7580 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7580 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3143 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2017 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3546 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 -0.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4668 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0278 -0.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5888 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5888 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0278 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4668 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2017 -0.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3143 -1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2049 -0.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5857 0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2049 0.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4269 0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9832 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9832 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4269 -0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3341 1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5857 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2019 0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 0.4075 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 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
12 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 13 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 2 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
5 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SBV 1 30 -4.9404 4.0994
S SKP 8
ID FL1CBCNP0001
KNApSAcK_ID C00007036
NAME Glabrachromene I
CAS_RN 40958-05-2
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES C(O1)(C=Cc(c2O)c1cc(OC)c(C(C=Cc(c4)ccc(c43)OCO3)=O)2)(C)C
M END
