Mol:FL3F19NF0005
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6167 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6167 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6167 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6167 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3312 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3312 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3312 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3312 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0977 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0977 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8122 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8122 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8122 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8122 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0977 -0.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0977 -0.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5267 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5267 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2411 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2411 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9556 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9556 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9556 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9556 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2411 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2411 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5267 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5267 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0977 -2.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0977 -2.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0457 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0457 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0457 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0457 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5027 0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5027 0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3232 0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3232 0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6588 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6588 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1672 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1672 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7803 2.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7803 2.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4947 1.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4947 1.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1433 2.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1433 2.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3546 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3546 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4774 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4774 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7725 0.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7725 0.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9556 0.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9556 0.9522 0.0000 H 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 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 16 4 2 0 0 0 0 | + | 16 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 2 1 0 0 0 0 | + | 8 2 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 5 15 2 0 0 0 0 | + | 5 15 2 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 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 17 1 0 0 0 0 | + | 20 17 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 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 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 21 26 1 6 0 0 0 | + | 21 26 1 6 0 0 0 |
| − | 18 27 1 6 0 0 0 | + | 18 27 1 6 0 0 0 |
| − | 19 28 1 6 0 0 0 | + | 19 28 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F19NF0005 | + | ID FL3F19NF0005 |
| − | KNApSAcK_ID C00013465 | + | KNApSAcK_ID C00013465 |
| − | NAME Semiglabrinol;(7aS,10R,10aR)-7a,9,10,10a-Tetrahydro-10-hydroxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one | + | NAME Semiglabrinol;(7aS,10R,10aR)-7a,9,10,10a-Tetrahydro-10-hydroxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 51787-33-8 | + | CAS_RN 51787-33-8 |
| − | FORMULA C21H18O5 | + | FORMULA C21H18O5 |
| − | EXACTMASS 350.115423686 | + | EXACTMASS 350.115423686 |
| − | AVERAGEMASS 350.36462 | + | AVERAGEMASS 350.36462 |
| − | SMILES OC(C5(C)C)C(c14)([H])C([H])(O5)Oc1ccc(c34)C(=O)C=C(O3)c(c2)cccc2 | + | SMILES OC(C5(C)C)C(c14)([H])C([H])(O5)Oc1ccc(c34)C(=O)C=C(O3)c(c2)cccc2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
-0.6167 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6167 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0977 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8122 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8122 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0977 -0.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5267 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2411 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9556 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9556 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2411 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5267 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0977 -2.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0457 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0457 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5027 0.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3232 0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6588 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1672 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7803 2.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4947 1.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1433 2.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3546 2.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4774 1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7725 0.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9556 0.9522 0.0000 H 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 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
3 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 17 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 19 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 6 0 0 0
18 27 1 6 0 0 0
19 28 1 6 0 0 0
S SKP 8
ID FL3F19NF0005
KNApSAcK_ID C00013465
NAME Semiglabrinol;(7aS,10R,10aR)-7a,9,10,10a-Tetrahydro-10-hydroxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one
CAS_RN 51787-33-8
FORMULA C21H18O5
EXACTMASS 350.115423686
AVERAGEMASS 350.36462
SMILES OC(C5(C)C)C(c14)([H])C([H])(O5)Oc1ccc(c34)C(=O)C=C(O3)c(c2)cccc2
M END
