Mol:FL3FQUNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 42 0 0 0 0 0 0 0 0999 V2000 | + | 37 42 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.0704 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0704 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.3552 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3552 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.7841 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7841 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7841 1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7841 1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.6431 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6431 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.9106 3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9106 3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7703 3.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7703 3.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7353 -1.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7353 -1.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 17 20 2 0 0 0 0 | + | 17 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 18 2 0 0 0 0 | + | 23 18 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 16 31 2 0 0 0 0 | + | 16 31 2 0 0 0 0 |
| − | 6 32 2 0 0 0 0 | + | 6 32 2 0 0 0 0 |
| − | 8 33 1 0 0 0 0 | + | 8 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 2 0 0 0 0 | + | 33 35 2 0 0 0 0 |
| − | 14 36 1 0 0 0 0 | + | 14 36 1 0 0 0 0 |
| − | 14 37 1 0 0 0 0 | + | 14 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FQUNP0002 | + | ID FL3FQUNP0002 |
| − | KNApSAcK_ID C00013494 | + | KNApSAcK_ID C00013494 |
| − | NAME Artonol D;6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthene-7,10,15(9H,12H)-trione | + | NAME Artonol D;6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthene-7,10,15(9H,12H)-trione |
| − | CAS_RN 186824-60-2 | + | CAS_RN 186824-60-2 |
| − | FORMULA C30H26O7 | + | FORMULA C30H26O7 |
| − | EXACTMASS 498.167853186 | + | EXACTMASS 498.167853186 |
| − | AVERAGEMASS 498.52324 | + | AVERAGEMASS 498.52324 |
| − | SMILES c(c6=O)(C(C(C)=C)4)c(c(=O)c(c65)C=CC(O5)(C)C)C(O1)=C(C4)C(c(c(O)3)c1c(c2c3)C=CC(C)(C)O2)=O | + | SMILES c(c6=O)(C(C(C)=C)4)c(c(=O)c(c65)C=CC(O5)(C)C)C(O1)=C(C4)C(c(c(O)3)c1c(c2c3)C=CC(C)(C)O2)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 42 0 0 0 0 0 0 0 0999 V2000
-1.5012 -2.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4966 -1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7891 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0723 -2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0676 -1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7798 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7891 -3.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6398 -2.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3566 -2.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3613 -1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6492 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2087 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9255 -1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9302 -2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2181 -2.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0704 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0673 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3552 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6461 -0.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7841 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7841 1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0673 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3552 1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0673 2.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3552 2.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6431 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6431 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4742 0.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9106 3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7703 3.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7353 -1.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.0835 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1703 -3.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2615 -2.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4742 -1.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10 16 1 0 0 0 0
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22 24 1 0 0 0 0
24 25 1 0 0 0 0
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26 27 2 0 0 0 0
27 23 1 0 0 0 0
20 28 1 0 0 0 0
25 29 1 0 0 0 0
25 30 1 0 0 0 0
16 31 2 0 0 0 0
6 32 2 0 0 0 0
8 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
S SKP 8
ID FL3FQUNP0002
KNApSAcK_ID C00013494
NAME Artonol D;6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthene-7,10,15(9H,12H)-trione
CAS_RN 186824-60-2
FORMULA C30H26O7
EXACTMASS 498.167853186
AVERAGEMASS 498.52324
SMILES c(c6=O)(C(C(C)=C)4)c(c(=O)c(c65)C=CC(O5)(C)C)C(O1)=C(C4)C(c(c(O)3)c1c(c2c3)C=CC(C)(C)O2)=O
M END
