Mol:FL3FQUNP0003
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 38 0 0 0 0 0 0 0 0999 V2000 | + | 33 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7163 -0.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7163 -0.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7116 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7116 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0041 -1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0041 -1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7127 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7127 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7174 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7174 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0052 0.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0052 0.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4248 -1.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4248 -1.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1416 -0.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1416 -0.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1463 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1463 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4342 0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4342 0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4237 0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4237 0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1405 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1405 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1452 -0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1452 -0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4331 -1.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4331 -1.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8554 0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8554 0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1402 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1402 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4311 1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4311 1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4331 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4331 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0041 -1.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0041 -1.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8440 1.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8440 1.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5264 0.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5264 0.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4444 1.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4444 1.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4342 -0.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4342 -0.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8609 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8609 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8609 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8609 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5160 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5160 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4237 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4237 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1405 1.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1405 1.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8573 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8573 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8573 0.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8573 0.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1950 1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1950 1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5264 1.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5264 1.0810 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 |
| − | 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 2 11 2 0 0 0 0 | + | 2 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 1 2 0 0 0 0 | + | 14 1 2 0 0 0 0 |
| − | 9 15 1 0 0 0 0 | + | 9 15 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 10 1 0 0 0 0 | + | 18 10 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 2 0 0 0 0 | + | 3 20 2 0 0 0 0 |
| − | 18 21 2 0 0 0 0 | + | 18 21 2 0 0 0 0 |
| − | 15 22 2 0 0 0 0 | + | 15 22 2 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 10 24 1 0 0 0 0 | + | 10 24 1 0 0 0 0 |
| − | 24 9 1 0 0 0 0 | + | 24 9 1 0 0 0 0 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 11 28 1 0 0 0 0 | + | 11 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 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 12 1 0 0 0 0 | + | 31 12 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FQUNP0003 | + | ID FL3FQUNP0003 |
| − | KNApSAcK_ID C00013495 | + | KNApSAcK_ID C00013495 |
| − | NAME Artonin P;8,9-Dihydro-6,11-dihydroxy-3,3-dimethyl-9-(1-methylethenyl)-9a,13a-epoxy-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione | + | NAME Artonin P;8,9-Dihydro-6,11-dihydroxy-3,3-dimethyl-9-(1-methylethenyl)-9a,13a-epoxy-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione |
| − | CAS_RN 151606-37-0 | + | CAS_RN 151606-37-0 |
| − | FORMULA C25H20O8 | + | FORMULA C25H20O8 |
| − | EXACTMASS 448.11581761599996 | + | EXACTMASS 448.11581761599996 |
| − | AVERAGEMASS 448.4215 | + | AVERAGEMASS 448.4215 |
| − | SMILES Oc(c2)c(C(=O)3)c(OC(C456)=C3CC(C4(C(C(=CC6=O)O)=O)O5)C(C)=C)c(c21)C=CC(C)(C)O1 | + | SMILES Oc(c2)c(C(=O)3)c(OC(C456)=C3CC(C4(C(C(=CC6=O)O)=O)O5)C(C)=C)c(c21)C=CC(C)(C)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 38 0 0 0 0 0 0 0 0999 V2000
-0.7163 -0.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0041 -1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7127 -0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7174 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0052 0.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4248 -1.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1416 -0.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1463 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4342 0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4237 0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1405 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1452 -0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4331 -1.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8554 0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1402 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4311 1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4331 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0041 -1.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8440 1.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5264 0.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4444 1.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4342 -0.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8609 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8609 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5160 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4237 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1405 1.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8573 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8573 0.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1950 1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5264 1.0810 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
2 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 1 2 0 0 0 0
9 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 10 1 0 0 0 0
14 19 1 0 0 0 0
3 20 2 0 0 0 0
18 21 2 0 0 0 0
15 22 2 0 0 0 0
16 23 1 0 0 0 0
10 24 1 0 0 0 0
24 9 1 0 0 0 0
8 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
11 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 12 1 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
S SKP 8
ID FL3FQUNP0003
KNApSAcK_ID C00013495
NAME Artonin P;8,9-Dihydro-6,11-dihydroxy-3,3-dimethyl-9-(1-methylethenyl)-9a,13a-epoxy-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione
CAS_RN 151606-37-0
FORMULA C25H20O8
EXACTMASS 448.11581761599996
AVERAGEMASS 448.4215
SMILES Oc(c2)c(C(=O)3)c(OC(C456)=C3CC(C4(C(C(=CC6=O)O)=O)O5)C(C)=C)c(c21)C=CC(C)(C)O1
M END
