Mol:FL1DA9NR0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2357 -1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 -1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6465 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6465 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0573 -1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0573 -1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0573 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0573 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6465 -0.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6465 -0.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4004 -2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4004 -2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2104 -1.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2104 -1.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8499 -2.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8499 -2.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4317 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0123 -2.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0123 -2.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5929 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5929 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5929 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5929 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0123 -0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0123 -0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4317 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4004 -2.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4004 -2.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6465 -2.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6465 -2.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5664 -0.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5664 -0.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8816 0.1479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.8816 0.1479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.5673 0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5673 0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1884 0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1884 0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1582 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1582 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1884 1.3485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.1884 1.3485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.8816 1.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8816 1.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2282 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2282 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1711 1.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1711 1.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1532 2.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1532 2.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8834 2.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8834 2.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5929 -0.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5929 -0.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0928 0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0928 0.5233 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 2 17 1 0 0 0 0 | + | 2 17 1 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 5 1 0 0 0 0 | + | 20 5 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 23 26 1 6 0 0 0 | + | 23 26 1 6 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -2.5929 -0.3428 | + | M SVB 1 32 -2.5929 -0.3428 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NR0009 | + | ID FL1DA9NR0009 |
| − | KNApSAcK_ID C00008113 | + | KNApSAcK_ID C00008113 |
| − | NAME Adunctin C | + | NAME Adunctin C |
| − | CAS_RN 151484-75-2 | + | CAS_RN 151484-75-2 |
| − | FORMULA C26H30O4 | + | FORMULA C26H30O4 |
| − | EXACTMASS 406.21440944799997 | + | EXACTMASS 406.21440944799997 |
| − | AVERAGEMASS 406.51399999999995 | + | AVERAGEMASS 406.51399999999995 |
| − | SMILES O(c21)[C@](C4)(C=C[C@@H](C4)C(C)C)Cc(c(OC)cc(O)c2C(CCc(c3)cccc3)=O)1 | + | SMILES O(c21)[C@](C4)(C=C[C@@H](C4)C(C)C)Cc(c(OC)cc(O)c2C(CCc(c3)cccc3)=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.2357 -1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6465 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0573 -1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0573 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6465 -0.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4004 -2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2104 -1.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8499 -2.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0123 -2.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 -1.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0123 -0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4004 -2.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6465 -2.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5664 -0.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8816 0.1479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5673 0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1884 0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1582 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1884 1.3485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8816 1.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2282 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1711 1.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1532 2.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8834 2.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5929 -0.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0928 0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
3 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
2 17 1 0 0 0 0
4 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 1 0 0 0
20 5 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 19 1 0 0 0 0
23 26 1 6 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -2.5929 -0.3428
S SKP 8
ID FL1DA9NR0009
KNApSAcK_ID C00008113
NAME Adunctin C
CAS_RN 151484-75-2
FORMULA C26H30O4
EXACTMASS 406.21440944799997
AVERAGEMASS 406.51399999999995
SMILES O(c21)[C@](C4)(C=C[C@@H](C4)C(C)C)Cc(c(OC)cc(O)c2C(CCc(c3)cccc3)=O)1
M END
