Mol:FLIFHXNP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8628 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8628 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8628 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8628 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3065 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3065 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7502 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7502 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7502 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7502 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3065 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3065 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1939 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1939 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3624 -0.1935 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3624 -0.1935 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3624 0.4489 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3624 0.4489 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1939 0.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1939 0.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9185 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9185 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9185 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9185 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5133 -1.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5133 -1.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1081 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1081 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1081 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1081 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5133 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5133 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1939 -1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1939 -1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5403 0.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5403 0.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9187 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9187 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4189 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4189 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3624 -0.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3624 -0.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3065 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3065 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8628 1.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8628 1.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4189 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4189 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6108 2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6108 2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0595 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0595 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3065 -1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3065 -1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0959 -1.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0959 -1.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8104 -2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8104 -2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1081 -1.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1081 -1.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1081 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1081 -1.2013 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 13 28 1 0 0 0 0 | + | 13 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 2.3451 -1.4076 | + | M SVB 2 34 2.3451 -1.4076 |
| − | 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 SVB 1 32 1.0959 -1.7163 | + | M SVB 1 32 1.0959 -1.7163 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFHXNP0003 | + | ID FLIFHXNP0003 |
| − | KNApSAcK_ID C00009591 | + | KNApSAcK_ID C00009591 |
| − | NAME 11-Hydroxytephrosin | + | NAME 11-Hydroxytephrosin |
| − | CAS_RN 72458-85-6 | + | CAS_RN 72458-85-6 |
| − | FORMULA C23H22O8 | + | FORMULA C23H22O8 |
| − | EXACTMASS 426.13146768 | + | EXACTMASS 426.13146768 |
| − | AVERAGEMASS 426.41598000000005 | + | AVERAGEMASS 426.41598000000005 |
| − | SMILES c(c54)c(O)c(c3c4C=CC(O5)(C)C)C(C(C2O3)(c(c1)c(OC2)cc(c1OC)OC)O)=O | + | SMILES c(c54)c(O)c(c3c4C=CC(O5)(C)C)C(C(C2O3)(c(c1)c(OC2)cc(c1OC)OC)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.8628 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8628 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3065 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7502 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7502 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3065 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1939 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3624 -0.1935 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3624 0.4489 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1939 0.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9185 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9185 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 -1.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1081 -1.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1081 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1939 -1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5403 0.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9187 0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4189 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3624 -0.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3065 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8628 1.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4189 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6108 2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0595 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3065 -1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0959 -1.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8104 -2.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1081 -1.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1081 -1.2013 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 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
7 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
1 20 1 0 0 0 0
8 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 20 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
3 27 1 0 0 0 0
13 28 1 0 0 0 0
28 29 1 0 0 0 0
14 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 2.3451 -1.4076
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 SVB 1 32 1.0959 -1.7163
S SKP 8
ID FLIFHXNP0003
KNApSAcK_ID C00009591
NAME 11-Hydroxytephrosin
CAS_RN 72458-85-6
FORMULA C23H22O8
EXACTMASS 426.13146768
AVERAGEMASS 426.41598000000005
SMILES c(c54)c(O)c(c3c4C=CC(O5)(C)C)C(C(C2O3)(c(c1)c(OC2)cc(c1OC)OC)O)=O
M END
