Mol:FL4DQUNP0001
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3653 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3653 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8444 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8444 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3235 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3235 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3235 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3235 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8444 1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8444 1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3653 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3653 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1973 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1973 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7182 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7182 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7182 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7182 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1973 1.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1973 1.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1973 -0.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1973 -0.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2386 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2386 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8444 -0.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8444 -0.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8857 -0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8857 -0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4061 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4061 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8857 1.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8857 1.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4061 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4061 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0464 1.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0464 1.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0842 0.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0842 0.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6438 0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6438 0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2903 1.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2903 1.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2420 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2420 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4866 1.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4866 1.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1331 1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1331 1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5349 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5349 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0842 1.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0842 1.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7182 -0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7182 -0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2643 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2643 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2643 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2643 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7406 -1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7406 -1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7880 -1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7880 -1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7810 1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7810 1.4722 0.0000 O 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 12 1 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 15 1 0 0 0 0 | + | 17 15 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 9 1 0 0 0 0 | + | 21 9 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 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 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 9 32 1 0 0 0 0 | + | 9 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DQUNP0001 | + | ID FL4DQUNP0001 |
| − | KNApSAcK_ID C00008628 | + | KNApSAcK_ID C00008628 |
| − | NAME Sanggenon A | + | NAME Sanggenon A |
| − | CAS_RN 76464-71-6 | + | CAS_RN 76464-71-6 |
| − | FORMULA C25H24O7 | + | FORMULA C25H24O7 |
| − | EXACTMASS 436.152203122 | + | EXACTMASS 436.152203122 |
| − | AVERAGEMASS 436.45385999999996 | + | AVERAGEMASS 436.45385999999996 |
| − | SMILES C(c51)=CC(Oc1cc(c(c5O)4)OC(c32)(O)C(CC=C(C)C)(C4=O)Oc2cc(cc3)O)(C)C | + | SMILES C(c51)=CC(Oc1cc(c(c5O)4)OC(c32)(O)C(CC=C(C)C)(C4=O)Oc2cc(cc3)O)(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
-1.3653 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8444 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3235 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3235 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8444 1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3653 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1973 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7182 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7182 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1973 1.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1973 -0.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2386 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8444 -0.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8857 -0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4061 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8857 1.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4061 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0464 1.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0842 0.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6438 0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2903 1.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2420 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4866 1.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1331 1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5349 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0842 1.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7182 -0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2643 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2643 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7406 -1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7880 -1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7810 1.4722 0.0000 O 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 4 1 0 0 0 0
7 11 2 0 0 0 0
8 12 1 0 0 0 0
2 13 1 0 0 0 0
1 14 1 0 0 0 0
14 15 2 0 0 0 0
6 16 1 0 0 0 0
16 17 1 0 0 0 0
17 15 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
12 20 1 0 0 0 0
20 21 2 0 0 0 0
21 9 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 21 1 0 0 0 0
23 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
9 32 1 0 0 0 0
S SKP 8
ID FL4DQUNP0001
KNApSAcK_ID C00008628
NAME Sanggenon A
CAS_RN 76464-71-6
FORMULA C25H24O7
EXACTMASS 436.152203122
AVERAGEMASS 436.45385999999996
SMILES C(c51)=CC(Oc1cc(c(c5O)4)OC(c32)(O)C(CC=C(C)C)(C4=O)Oc2cc(cc3)O)(C)C
M END
