Mol:FL3FA9NC0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 37 0 0 0 0 0 0 0 0999 V2000 | + | 33 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5018 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5018 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5018 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5018 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9455 -1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9455 -1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3892 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3892 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3892 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3892 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9455 -0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9455 -0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1671 -1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1671 -1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7234 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7234 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7234 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7234 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1671 -0.3265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1671 -0.3265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1671 -2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1671 -2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2795 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2795 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8465 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8465 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4135 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4135 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4135 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4135 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8465 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8465 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2795 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2795 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0790 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0790 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7179 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7179 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9791 -0.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9791 -0.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8178 0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8178 0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2951 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2951 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8514 0.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8514 0.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4135 0.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4135 0.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5611 0.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5611 0.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7949 2.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7949 2.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0801 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0801 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2848 0.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2848 0.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1070 1.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1070 1.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7683 1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7683 1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0705 2.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0705 2.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3819 -1.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3819 -1.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6674 -2.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6674 -2.1842 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 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 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 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 19 24 1 1 0 0 0 | + | 19 24 1 1 0 0 0 |
| − | 18 25 1 1 0 0 0 | + | 18 25 1 1 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 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 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 3 32 1 0 0 0 0 | + | 3 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 36 -7.5028 7.1118 | + | M SBV 1 36 -7.5028 7.1118 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NC0003 | + | ID FL3FA9NC0003 |
| − | KNApSAcK_ID C00004097 | + | KNApSAcK_ID C00004097 |
| − | NAME Enantiomultijugin;(7aR,10S,10aS)-rel-(-)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one | + | NAME Enantiomultijugin;(7aR,10S,10aS)-rel-(-)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 145264-18-2 | + | CAS_RN 145264-18-2 |
| − | FORMULA C24H22O7 | + | FORMULA C24H22O7 |
| − | EXACTMASS 422.136553058 | + | EXACTMASS 422.136553058 |
| − | AVERAGEMASS 422.42728 | + | AVERAGEMASS 422.42728 |
| − | SMILES C(c23)([H])(C(OC(C)=O)1)C(Oc(cc(c(C(=O)4)c(OC(c(c5)cccc5)=C4)3)OC)2)(OC(C)(C)1)[H] | + | SMILES C(c23)([H])(C(OC(C)=O)1)C(Oc(cc(c(C(=O)4)c(OC(c(c5)cccc5)=C4)3)OC)2)(OC(C)(C)1)[H] |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 37 0 0 0 0 0 0 0 0999 V2000
-1.5018 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5018 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9455 -1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3892 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3892 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9455 -0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1671 -1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7234 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7234 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1671 -0.3265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1671 -2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2795 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8465 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4135 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4135 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8465 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2795 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0790 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7179 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9791 -0.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8178 0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2951 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8514 0.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4135 0.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5611 0.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7949 2.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0801 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2848 0.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1070 1.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7683 1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0705 2.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3819 -1.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6674 -2.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 19 1 0 0 0 0
19 24 1 1 0 0 0
18 25 1 1 0 0 0
22 26 1 0 0 0 0
22 27 1 0 0 0 0
21 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
3 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 OCH3
M SBV 1 36 -7.5028 7.1118
S SKP 8
ID FL3FA9NC0003
KNApSAcK_ID C00004097
NAME Enantiomultijugin;(7aR,10S,10aS)-rel-(-)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one
CAS_RN 145264-18-2
FORMULA C24H22O7
EXACTMASS 422.136553058
AVERAGEMASS 422.42728
SMILES C(c23)([H])(C(OC(C)=O)1)C(Oc(cc(c(C(=O)4)c(OC(c(c5)cccc5)=C4)3)OC)2)(OC(C)(C)1)[H]
M END
