Mol:FL1C1ANP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7727 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7727 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7727 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7727 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3290 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3290 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8853 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8853 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8853 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8853 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3290 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3290 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5158 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5158 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0721 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0721 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0403 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0403 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6013 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6013 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0403 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0403 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6013 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6013 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1539 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1539 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7066 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7066 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7066 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7066 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1539 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1539 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4416 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4416 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1539 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1539 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2592 0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2592 0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8118 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8118 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8118 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8118 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2592 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2592 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3644 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3644 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4416 0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4416 0.2831 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 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 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 17 5 1 0 0 0 0 | + | 17 5 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANP0002 | + | ID FL1C1ANP0002 |
| − | KNApSAcK_ID C00007061 | + | KNApSAcK_ID C00007061 |
| − | NAME Isobavachromene;4-Hydroxylonchocarpin | + | NAME Isobavachromene;4-Hydroxylonchocarpin |
| − | CAS_RN 52801-22-6,56083-03-5 | + | CAS_RN 52801-22-6,56083-03-5 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES Oc(c3)ccc(c3)C=CC(c(c2O)ccc(c21)OC(C=C1)(C)C)=O | + | SMILES Oc(c3)ccc(c3)C=CC(c(c2O)ccc(c21)OC(C=C1)(C)C)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
1.7727 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7727 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3290 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8853 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8853 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3290 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5158 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0721 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0403 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6013 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0403 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6013 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1539 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7066 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7066 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1539 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4416 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1539 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2592 0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8118 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8118 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2592 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3644 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4416 0.2831 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 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 10 1 0 0 0 0
17 5 1 0 0 0 0
16 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 15 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
S SKP 8
ID FL1C1ANP0002
KNApSAcK_ID C00007061
NAME Isobavachromene;4-Hydroxylonchocarpin
CAS_RN 52801-22-6,56083-03-5
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES Oc(c3)ccc(c3)C=CC(c(c2O)ccc(c21)OC(C=C1)(C)C)=O
M END
