Mol:FLIA1LNP0006
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8302 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8302 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8302 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8302 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2739 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2739 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7176 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7176 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7176 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7176 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2739 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2739 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1613 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1613 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3950 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3950 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3950 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3950 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1613 1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1613 1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9511 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9511 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9511 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9511 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5459 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5459 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1407 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1407 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1407 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1407 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5459 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5459 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1613 -0.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1613 -0.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3863 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3863 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3865 1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3865 1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9428 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9428 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9428 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9428 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5738 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5738 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2980 2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2980 2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5459 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5459 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1407 -1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1407 -1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7355 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7355 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4988 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4988 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7355 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7355 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9312 -2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9312 -2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5738 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5738 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2366 -0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2366 -0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9511 -0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9511 -0.5954 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 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 26 14 1 0 0 0 0 | + | 26 14 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 28 26 1 0 0 0 0 | + | 28 26 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 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 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 35 -6.4593 3.8804 | + | M SBV 1 35 -6.4593 3.8804 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNP0006 | + | ID FLIA1LNP0006 |
| − | KNApSAcK_ID C00009449 | + | KNApSAcK_ID C00009449 |
| − | NAME Mundulone | + | NAME Mundulone |
| − | CAS_RN 481-94-7 | + | CAS_RN 481-94-7 |
| − | FORMULA C26H26O6 | + | FORMULA C26H26O6 |
| − | EXACTMASS 434.172938564 | + | EXACTMASS 434.172938564 |
| − | AVERAGEMASS 434.48103999999995 | + | AVERAGEMASS 434.48103999999995 |
| − | SMILES c(c52)c(O1)c(cc2C(=O)C(=CO5)c(c3OC)ccc(O4)c3C=CC4(C)C)CC(O)C1(C)C | + | SMILES c(c52)c(O1)c(cc2C(=O)C(=CO5)c(c3OC)ccc(O4)c3C=CC4(C)C)CC(O)C1(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-1.8302 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8302 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2739 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7176 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7176 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2739 1.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1613 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1613 1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5459 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1407 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1407 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5459 0.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1613 -0.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3863 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3865 1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9428 1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9428 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5738 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2980 2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5459 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1407 -1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7355 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4988 0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7355 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9312 -2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5738 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2366 -0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 -0.5954 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 2 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 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
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 2 0 0 0 0
26 14 1 0 0 0 0
21 27 1 0 0 0 0
25 28 1 0 0 0 0
28 26 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
12 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 35
M SMT 1 ^OCH3
M SBV 1 35 -6.4593 3.8804
S SKP 8
ID FLIA1LNP0006
KNApSAcK_ID C00009449
NAME Mundulone
CAS_RN 481-94-7
FORMULA C26H26O6
EXACTMASS 434.172938564
AVERAGEMASS 434.48103999999995
SMILES c(c52)c(O1)c(cc2C(=O)C(=CO5)c(c3OC)ccc(O4)c3C=CC4(C)C)CC(O)C1(C)C
M END
