Mol:FL4DRNNI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.8239 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8239 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1038 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1038 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8327 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8327 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1199 -1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1199 -1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4043 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4043 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3930 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3930 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6912 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6912 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9732 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9732 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9663 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9663 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6730 0.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6730 0.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2445 0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2445 0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2356 1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2356 1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5165 1.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5165 1.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1918 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1918 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1855 0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1855 0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5344 -0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 -0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7061 -2.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7061 -2.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1199 -2.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1199 -2.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5322 0.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5322 0.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7715 1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7715 1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2161 -1.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2161 -1.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9663 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9663 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6525 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6525 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6525 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6525 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0493 2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0493 2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2290 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2290 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9732 -1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9732 -1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9272 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9272 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6544 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6544 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3572 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3572 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0237 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0237 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7592 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7592 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4352 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4352 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9933 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9933 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3572 -1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3572 -1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9933 -0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9933 -0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5322 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5322 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 16 1 0 0 0 0 | + | 21 16 1 0 0 0 0 |
| − | 9 22 1 1 0 0 0 | + | 9 22 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 8 27 1 1 0 0 0 | + | 8 27 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 30 35 1 0 0 0 0 | + | 30 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DRNNI0004 | + | ID FL4DRNNI0004 |
| − | KNApSAcK_ID C00014398 | + | KNApSAcK_ID C00014398 |
| − | NAME Sanggenol G | + | NAME Sanggenol G |
| − | CAS_RN 202526-52-1 | + | CAS_RN 202526-52-1 |
| − | FORMULA C30H34O7 | + | FORMULA C30H34O7 |
| − | EXACTMASS 506.230453442 | + | EXACTMASS 506.230453442 |
| − | AVERAGEMASS 506.58676 | + | AVERAGEMASS 506.58676 |
| − | SMILES CC(C)=CCC(c34)(C(O)(Oc3c(CC=C(CCC=C(C)C)C)c(O)cc4)2)Oc(c1)c(C(=O)2)c(O)cc1O | + | SMILES CC(C)=CCC(c34)(C(O)(Oc3c(CC=C(CCC=C(C)C)C)c(O)cc4)2)Oc(c1)c(C(=O)2)c(O)cc1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-4.8239 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1038 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8327 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1199 -1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4043 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3930 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6912 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9732 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9663 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6730 0.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2445 0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2356 1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 1.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1918 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1855 0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7061 -2.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1199 -2.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5322 0.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7715 1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2161 -1.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9663 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6525 1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6525 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0493 2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2290 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9732 -1.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9272 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6544 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3572 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0237 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7592 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4352 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9933 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3572 -1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9933 -0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5322 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 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
4 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
8 21 1 0 0 0 0
21 16 1 0 0 0 0
9 22 1 1 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
8 27 1 1 0 0 0
15 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
30 35 1 0 0 0 0
34 36 1 0 0 0 0
34 37 1 0 0 0 0
S SKP 8
ID FL4DRNNI0004
KNApSAcK_ID C00014398
NAME Sanggenol G
CAS_RN 202526-52-1
FORMULA C30H34O7
EXACTMASS 506.230453442
AVERAGEMASS 506.58676
SMILES CC(C)=CCC(c34)(C(O)(Oc3c(CC=C(CCC=C(C)C)C)c(O)cc4)2)Oc(c1)c(C(=O)2)c(O)cc1O
M END
