Mol:FL1CE9NC0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1776 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1776 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1776 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1776 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4631 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4631 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4631 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4631 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7487 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7487 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7487 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7487 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0345 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0345 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6813 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6813 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6812 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6812 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3958 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3958 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8921 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8921 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8921 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8921 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6066 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6066 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4631 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4631 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1776 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1776 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4631 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4631 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7487 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7487 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1776 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1776 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8921 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8921 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6066 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6066 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6066 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6066 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3210 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3210 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0355 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0355 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0355 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0355 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3210 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3210 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2646 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2646 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0511 -2.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0511 -2.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0615 -1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0615 -1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6448 -1.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6448 -1.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4417 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4417 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0251 -2.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0251 -2.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8220 -2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8220 -2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0355 -1.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0355 -1.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4521 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4521 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6553 -0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6553 -0.9740 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 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 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 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 3 14 1 0 0 0 0 | + | 3 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 4 16 1 0 0 0 0 | + | 4 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 9 26 2 0 0 0 0 | + | 9 26 2 0 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 |
| − | 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 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CE9NC0001 | + | ID FL1CE9NC0001 |
| − | KNApSAcK_ID C00014583 | + | KNApSAcK_ID C00014583 |
| − | NAME Didymocalyxin B | + | NAME Didymocalyxin B |
| − | CAS_RN 252238-41-8 | + | CAS_RN 252238-41-8 |
| − | FORMULA C28H22O7 | + | FORMULA C28H22O7 |
| − | EXACTMASS 470.136553058 | + | EXACTMASS 470.136553058 |
| − | AVERAGEMASS 470.47008000000005 | + | AVERAGEMASS 470.47008000000005 |
| − | SMILES c(c4)ccc(c4)C=CC(=O)c(c3O)c(c(c(c3OC)OC)1)oc(=O)c1=C(C=Cc(c2)cccc2)O | + | SMILES c(c4)ccc(c4)C=CC(=O)c(c3O)c(c(c(c3OC)OC)1)oc(=O)c1=C(C=Cc(c2)cccc2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-2.1776 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1776 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7487 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7487 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0345 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6812 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3958 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8921 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8921 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6066 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1776 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7487 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1776 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8921 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6066 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6066 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3210 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0355 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0355 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3210 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2646 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0511 -2.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0615 -1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 -1.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4417 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0251 -2.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 -2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0355 -1.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4521 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6553 -0.9740 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
8 10 2 0 0 0 0
1 11 1 0 0 0 0
2 12 1 0 0 0 0
12 13 1 0 0 0 0
3 14 1 0 0 0 0
14 15 1 0 0 0 0
4 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 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 20 1 0 0 0 0
9 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 30 1 0 0 0 0
S SKP 8
ID FL1CE9NC0001
KNApSAcK_ID C00014583
NAME Didymocalyxin B
CAS_RN 252238-41-8
FORMULA C28H22O7
EXACTMASS 470.136553058
AVERAGEMASS 470.47008000000005
SMILES c(c4)ccc(c4)C=CC(=O)c(c3O)c(c(c(c3OC)OC)1)oc(=O)c1=C(C=Cc(c2)cccc2)O
M END
