Mol:FL3FAANI0009
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 |
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| − | -2.1410 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1410 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8555 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8555 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5700 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5700 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5700 -1.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5700 -1.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.7121 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7121 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4266 -0.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4266 -0.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0024 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0024 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7169 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7169 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4313 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4313 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4313 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4313 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7169 0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7169 0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0024 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0024 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4266 -2.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4266 -2.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1458 0.8260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1458 0.8260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2844 -0.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2844 -0.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8555 -2.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8555 -2.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1458 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1458 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8591 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8591 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
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| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
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| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
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| − | 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANI0009 | + | ID FL3FAANI0009 |
| − | KNApSAcK_ID C00013409 | + | KNApSAcK_ID C00013409 |
| − | NAME Yinyanghuo B;(-)-5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-5-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one | + | NAME Yinyanghuo B;(-)-5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-5-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one |
| − | CAS_RN 174286-24-9 | + | CAS_RN 174286-24-9 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c(O)3)c(c(c1c3)C(C=C(c(c2)cc(c(O)c2CC=C(C)C)CC(O)C(C)=C)O1)=O)O | + | SMILES c(c(O)3)c(c(c1c3)C(C=C(c(c2)cc(c(O)c2CC=C(C)C)CC(O)C(C)=C)O1)=O)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/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.1410 -1.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1410 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8555 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5700 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5700 -1.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8555 -2.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4266 -2.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7121 -1.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7121 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4266 -0.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7169 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4313 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4313 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7169 0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4266 -2.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1458 0.8260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2844 -0.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8555 -2.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1458 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8591 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2844 -0.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7169 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0036 2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0036 2.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7097 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7097 0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4218 2.0622 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 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 2 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
18 14 1 0 0 0 0
4 19 1 0 0 0 0
6 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL3FAANI0009
KNApSAcK_ID C00013409
NAME Yinyanghuo B;(-)-5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-5-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one
CAS_RN 174286-24-9
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c(O)3)c(c(c1c3)C(C=C(c(c2)cc(c(O)c2CC=C(C)C)CC(O)C(C)=C)O1)=O)O
M END
