Mol:FLIHBANP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4483 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4483 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4483 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4483 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3357 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3357 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3357 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3357 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2206 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2206 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2206 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2206 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3330 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3330 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3330 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3330 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9278 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9278 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5226 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5226 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5226 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5226 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9278 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9278 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3330 0.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3330 0.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2206 -1.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2206 -1.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0046 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0046 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0046 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0046 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0046 -1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0046 -1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 -1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 -1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1168 -1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1168 -1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4483 1.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4483 1.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0046 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0046 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4629 1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4629 1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0046 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0046 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1168 -1.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1168 -1.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3284 -0.6133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3284 -0.6133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6139 -1.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6139 -1.0258 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 |
| − | 7 18 1 0 0 0 0 | + | 7 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 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 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -5.6550 4.9496 | + | M SBV 1 34 -5.6550 4.9496 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIHBANP0001 | + | ID FLIHBANP0001 |
| − | KNApSAcK_ID C00009792 | + | KNApSAcK_ID C00009792 |
| − | NAME Scandenin | + | NAME Scandenin |
| − | CAS_RN 5084-00-4 | + | CAS_RN 5084-00-4 |
| − | FORMULA C26H26O6 | + | FORMULA C26H26O6 |
| − | EXACTMASS 434.172938564 | + | EXACTMASS 434.172938564 |
| − | AVERAGEMASS 434.48103999999995 | + | AVERAGEMASS 434.48103999999995 |
| − | SMILES c(c1)(ccc(C(C4=O)=C(O)c(c(O4)3)c(OC)c(CC=C(C)C)c(c23)OC(C=C2)(C)C)c1)O | + | SMILES c(c1)(ccc(C(C4=O)=C(O)c(c(O4)3)c(OC)c(CC=C(C)C)c(c23)OC(C=C2)(C)C)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.4483 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4483 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2206 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2206 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3330 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3330 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9278 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5226 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5226 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9278 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3330 0.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2206 -1.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0046 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0046 -0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0046 -1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 -1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1168 -1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4483 1.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0046 1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4629 1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0046 2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1168 -1.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3284 -0.6133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6139 -1.0258 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
7 18 1 0 0 0 0
1 19 1 0 0 0 0
20 2 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 19 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
14 30 1 0 0 0 0
3 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -5.6550 4.9496
S SKP 8
ID FLIHBANP0001
KNApSAcK_ID C00009792
NAME Scandenin
CAS_RN 5084-00-4
FORMULA C26H26O6
EXACTMASS 434.172938564
AVERAGEMASS 434.48103999999995
SMILES c(c1)(ccc(C(C4=O)=C(O)c(c(O4)3)c(OC)c(CC=C(C)C)c(c23)OC(C=C2)(C)C)c1)O
M END
