Mol:FL64A9NI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6797 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6797 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6797 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6797 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5671 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5671 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5671 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5671 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -1.3190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.0108 -1.3190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -0.3555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.3555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1016 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1016 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2356 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2356 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2356 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2356 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1016 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1016 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2356 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2356 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5598 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5598 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8453 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8453 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0369 0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0369 0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5368 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5368 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4472 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4472 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2673 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2673 -1.8921 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 7 26 1 1 0 0 0 | + | 7 26 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 -0.4472 -1.4796 | + | M SVB 3 28 -0.4472 -1.4796 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -2.0369 0.2633 | + | M SVB 2 26 -2.0369 0.2633 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -1.5598 -1.4796 | + | M SVB 1 24 -1.5598 -1.4796 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL64A9NI0002 | + | ID FL64A9NI0002 |
| − | KNApSAcK_ID C00008983 | + | KNApSAcK_ID C00008983 |
| − | NAME Quercetol B | + | NAME Quercetol B |
| − | CAS_RN 119061-07-3 | + | CAS_RN 119061-07-3 |
| − | FORMULA C23H28O4 | + | FORMULA C23H28O4 |
| − | EXACTMASS 368.19875938399997 | + | EXACTMASS 368.19875938399997 |
| − | AVERAGEMASS 368.46602 | + | AVERAGEMASS 368.46602 |
| − | SMILES C(C)(C)=CCc(c(OC)3)c(O1)c(c(c3)OC)[C@@H](C[C@@H](c(c2)cccc2)1)OC | + | SMILES C(C)(C)=CCc(c(OC)3)c(O1)c(c(c3)OC)[C@@H](C[C@@H](c(c2)cccc2)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.6797 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6797 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -1.3190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5455 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.3555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0108 -0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5598 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8453 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0369 0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5368 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4472 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2673 -1.8921 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
9 11 1 6 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 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
6 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
7 26 1 1 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -0.4472 -1.4796
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -2.0369 0.2633
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -1.5598 -1.4796
S SKP 8
ID FL64A9NI0002
KNApSAcK_ID C00008983
NAME Quercetol B
CAS_RN 119061-07-3
FORMULA C23H28O4
EXACTMASS 368.19875938399997
AVERAGEMASS 368.46602
SMILES C(C)(C)=CCc(c(OC)3)c(O1)c(c(c3)OC)[C@@H](C[C@@H](c(c2)cccc2)1)OC
M END
