Mol:FL3FACCS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6839 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6839 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6839 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6839 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1276 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1276 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5713 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5713 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5713 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5713 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1276 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1276 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0150 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0150 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5413 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5413 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5413 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5413 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0150 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0150 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0150 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0150 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2400 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2400 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8822 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8822 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4878 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4878 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2309 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2309 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2240 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2240 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7607 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7607 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0657 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0657 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1787 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1787 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5226 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5226 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8663 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8663 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1276 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1276 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1592 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1592 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7455 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7455 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3317 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3317 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3317 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3317 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7455 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7455 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1592 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1592 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9175 -0.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9175 -0.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9175 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9175 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4724 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4724 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4724 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4724 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9175 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9175 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6306 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6306 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0839 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0839 1.1720 0.0000 O 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 23 9 1 0 0 0 0 | + | 23 9 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 21 31 1 0 0 0 0 | + | 21 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 31 33 2 0 0 0 0 | + | 31 33 2 0 0 0 0 |
| − | 18 34 1 0 0 0 0 | + | 18 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 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 34 35 | + | M SAL 1 2 34 35 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 37 -6.6484 5.6057 | + | M SBV 1 37 -6.6484 5.6057 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACCS0008 | + | ID FL3FACCS0008 |
| − | KNApSAcK_ID C00006140 | + | KNApSAcK_ID C00006140 |
| − | NAME Orientin 2''-acetate | + | NAME Orientin 2''-acetate |
| − | CAS_RN 71880-89-2 | + | CAS_RN 71880-89-2 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES Oc(c42)cc(O)c(c(OC(=CC(=O)4)c(c3)ccc(c3O)O)2)C(C(OC(C)=O)1)OC(C(C(O)1)O)CO | + | SMILES Oc(c42)cc(O)c(c(OC(=CC(=O)4)c(c3)ccc(c3O)O)2)C(C(OC(C)=O)1)OC(C(C(O)1)O)CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-1.6839 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6839 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1276 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5713 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5713 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1276 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0150 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5413 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5413 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0150 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0150 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2400 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8822 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4878 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2309 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2240 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7607 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1787 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5226 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8663 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1276 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1592 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3317 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3317 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1592 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9175 -0.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9175 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4724 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4724 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9175 0.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6306 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0839 1.1720 0.0000 O 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 5 1 0 0 0 0
7 11 2 0 0 0 0
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
25 29 1 0 0 0 0
23 9 1 0 0 0 0
26 30 1 0 0 0 0
21 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 2 0 0 0 0
18 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 1 37
M SMT 1 CH2OH
M SBV 1 37 -6.6484 5.6057
S SKP 8
ID FL3FACCS0008
KNApSAcK_ID C00006140
NAME Orientin 2''-acetate
CAS_RN 71880-89-2
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES Oc(c42)cc(O)c(c(OC(=CC(=O)4)c(c3)ccc(c3O)O)2)C(C(OC(C)=O)1)OC(C(C(O)1)O)CO
M END
