Mol:FL3FRNND0001
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 37 0 0 0 0 0 0 0 0999 V2000 | + | 32 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0984 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0984 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0984 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0984 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8129 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8129 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8129 -1.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8129 -1.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3840 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3840 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3305 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3305 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3305 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3305 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3840 0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3840 0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3840 -1.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3840 -1.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5274 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5274 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5274 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5274 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8129 -1.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8129 -1.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0450 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0450 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7595 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7595 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7595 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7595 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0450 0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0450 0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4739 0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4739 0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4739 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4739 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7595 1.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7595 1.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0450 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0450 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0440 0.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0440 0.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0465 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0465 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0465 -1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0465 -1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8712 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8712 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3305 1.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3305 1.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0653 1.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0653 1.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8129 1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8129 1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5274 1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5274 1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2419 1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2419 1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2419 0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2419 0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5757 1.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5757 1.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8712 1.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8712 1.1922 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 11 2 0 0 0 0 | + | 3 11 2 0 0 0 0 |
| − | 10 4 2 0 0 0 0 | + | 10 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 2 1 0 0 0 0 | + | 8 2 1 0 0 0 0 |
| − | 5 9 2 0 0 0 0 | + | 5 9 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 7 1 0 0 0 0 | + | 16 7 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 16 1 0 0 0 0 | + | 20 16 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 11 1 0 0 0 0 | + | 30 11 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNND0001 | + | ID FL3FRNND0001 |
| − | KNApSAcK_ID C00013485 | + | KNApSAcK_ID C00013485 |
| − | NAME Cycloartobiloxanthone;5a,6-Dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one | + | NAME Cycloartobiloxanthone;5a,6-Dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one |
| − | CAS_RN 121748-26-3 | + | CAS_RN 121748-26-3 |
| − | FORMULA C25H22O7 | + | FORMULA C25H22O7 |
| − | EXACTMASS 434.136553058 | + | EXACTMASS 434.136553058 |
| − | AVERAGEMASS 434.43798000000004 | + | AVERAGEMASS 434.43798000000004 |
| − | SMILES O(c45)C(c32)=C(C(=O)c(c(cc(O6)c(C=CC6(C)C)5)O)4)CC(c13)C(Oc(c(O)cc2O)1)(C)C | + | SMILES O(c45)C(c32)=C(C(=O)c(c(cc(O6)c(C=CC6(C)C)5)O)4)CC(c13)C(Oc(c(O)cc2O)1)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 37 0 0 0 0 0 0 0 0999 V2000
-1.0984 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0984 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8129 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8129 -1.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3840 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3305 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3305 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3840 0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3840 -1.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5274 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5274 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8129 -1.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7595 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7595 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4739 0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4739 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7595 1.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0450 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0440 0.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0465 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0465 -1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8712 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3305 1.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0653 1.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8129 1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5274 1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2419 1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2419 0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5757 1.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8712 1.1922 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 11 2 0 0 0 0
10 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
5 9 2 0 0 0 0
11 10 1 0 0 0 0
4 12 1 0 0 0 0
6 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 7 1 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 16 1 0 0 0 0
20 25 1 0 0 0 0
17 21 1 0 0 0 0
14 22 1 0 0 0 0
22 21 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
18 26 1 0 0 0 0
3 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 11 1 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
S SKP 8
ID FL3FRNND0001
KNApSAcK_ID C00013485
NAME Cycloartobiloxanthone;5a,6-Dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one
CAS_RN 121748-26-3
FORMULA C25H22O7
EXACTMASS 434.136553058
AVERAGEMASS 434.43798000000004
SMILES O(c45)C(c32)=C(C(=O)c(c(cc(O6)c(C=CC6(C)C)5)O)4)CC(c13)C(Oc(c(O)cc2O)1)(C)C
M END
