Mol:FL5FAANI0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0760 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0760 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0713 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0713 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3731 -2.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3731 -2.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3496 -2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3496 -2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3604 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3604 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3545 -1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3545 -1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7865 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7865 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0749 -1.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0749 -1.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7742 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7742 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4969 -1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4969 -1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5062 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5062 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8021 -2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8021 -2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4988 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4988 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4969 -0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4969 -0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7837 0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7837 0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0746 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0746 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8021 -3.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8021 -3.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3731 -3.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3731 -3.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0641 -2.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0641 -2.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2114 -1.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2114 -1.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7742 -0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7742 -0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4856 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4856 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2114 -0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2114 -0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.1994 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1994 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.7704 2.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7704 2.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0558 2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0558 2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0558 3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0558 3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7702 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7702 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3412 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3412 3.7165 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 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 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 9 21 1 0 0 0 0 | + | 9 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 14 1 0 0 0 0 | + | 23 14 1 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 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 |
| − | 26 27 1 0 0 0 0 | + | 26 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANI0010 | + | ID FL5FAANI0010 |
| − | KNApSAcK_ID C00013516 | + | KNApSAcK_ID C00013516 |
| − | NAME Isomacarangin;8-[(2Z)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Isomacarangin;8-[(2Z)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 229470-28-4 | + | CAS_RN 229470-28-4 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES CC(C)=CCCC(=CCc(c31)c(cc(O)c1C(=O)C(O)=C(O3)c(c2)ccc(c2)O)O)C | + | SMILES CC(C)=CCCC(=CCc(c31)c(cc(O)c1C(=O)C(O)=C(O3)c(c2)ccc(c2)O)O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.0760 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3731 -2.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3496 -2.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3604 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3545 -1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7865 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0749 -1.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7742 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4969 -1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5062 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8021 -2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4969 -0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7837 0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0746 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8021 -3.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3731 -3.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0641 -2.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2114 -1.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7742 -0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4856 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 -0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4856 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1994 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7704 1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7704 2.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 3.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7702 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3412 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 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 1 2 0 0 0 0
7 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
9 21 1 0 0 0 0
21 22 1 0 0 0 0
23 14 1 0 0 0 0
22 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 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
S SKP 8
ID FL5FAANI0010
KNApSAcK_ID C00013516
NAME Isomacarangin;8-[(2Z)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 229470-28-4
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES CC(C)=CCCC(=CCc(c31)c(cc(O)c1C(=O)C(O)=C(O3)c(c2)ccc(c2)O)O)C
M END
