Mol:FLIHBCNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 33 0 0 0 0 0 0 0 0999 V2000 | + | 29 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4296 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4296 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4296 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4296 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8733 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8733 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3170 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3170 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3170 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3170 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8733 1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8733 1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2393 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2393 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7956 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7956 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7956 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7956 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2393 1.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2393 1.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3517 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3517 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3517 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3517 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9465 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9465 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5413 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5413 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5413 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5413 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9465 0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9465 0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3517 1.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3517 1.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0893 -1.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0893 -1.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7724 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7724 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0517 -1.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0517 -1.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2393 -0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2393 -0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9859 1.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9859 1.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5422 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5422 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5422 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5422 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9859 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9859 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5422 1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5422 1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0517 0.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0517 0.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3097 -0.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3097 -0.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5952 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5952 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 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 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 7 21 1 0 0 0 0 | + | 7 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 2 1 0 0 0 0 | + | 25 2 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 32 -5.6362 5.4981 | + | M SBV 1 32 -5.6362 5.4981 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIHBCNP0001 | + | ID FLIHBCNP0001 |
| − | KNApSAcK_ID C00009789 | + | KNApSAcK_ID C00009789 |
| − | NAME Robustin | + | NAME Robustin |
| − | CAS_RN 22044-61-7 | + | CAS_RN 22044-61-7 |
| − | FORMULA C22H18O7 | + | FORMULA C22H18O7 |
| − | EXACTMASS 394.10525293 | + | EXACTMASS 394.10525293 |
| − | AVERAGEMASS 394.37412000000006 | + | AVERAGEMASS 394.37412000000006 |
| − | SMILES c(c21)c(C(C5=O)=C(c(c(O5)3)c(c(C=4)c(OC(C4)(C)C)c3)OC)O)ccc1OCO2 | + | SMILES c(c21)c(C(C5=O)=C(c(c(O5)3)c(c(C=4)c(OC(C4)(C)C)c3)OC)O)ccc1OCO2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-1.4296 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4296 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8733 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3170 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3170 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8733 1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2393 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7956 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7956 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2393 1.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3517 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3517 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9465 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5413 -0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5413 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9465 0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3517 1.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0893 -1.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7724 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0517 -1.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2393 -0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9859 1.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5422 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5422 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9859 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5422 1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0517 0.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3097 -0.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5952 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 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 2 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
9 17 2 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
7 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 2 1 0 0 0 0
23 26 1 0 0 0 0
23 27 1 0 0 0 0
3 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 32
M SMT 1 OCH3
M SBV 1 32 -5.6362 5.4981
S SKP 8
ID FLIHBCNP0001
KNApSAcK_ID C00009789
NAME Robustin
CAS_RN 22044-61-7
FORMULA C22H18O7
EXACTMASS 394.10525293
AVERAGEMASS 394.37412000000006
SMILES c(c21)c(C(C5=O)=C(c(c(O5)3)c(c(C=4)c(OC(C4)(C)C)c3)OC)O)ccc1OCO2
M END
