Mol:FL7AACGL0132
From Metabolomics.JP
(Difference between revisions)
(Created page with "FL7AAGGL0075.mol ChemDraw12051216113D 45 50 0 0 0 0 0 0 0 0999 V2000 0.0014 -0.2550 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7131 0.157...") |
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45 50 0 0 0 0 0 0 0 0999 V2000 | 45 50 0 0 0 0 0 0 0 0999 V2000 | ||
0.0014 -0.2550 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 | 0.0014 -0.2550 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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1 28 1 0 | 1 28 1 0 | ||
M CHG 1 8 1 | M CHG 1 8 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7AACGL0132 | ID FL7AACGL0132 | ||
| + | KNApSAcK_ID | ||
| + | NAME Pyranocyanin A | ||
| + | CAS_RN 294845-01-5 | ||
FORMULA C30H33O15 | FORMULA C30H33O15 | ||
EXACTMASS 633.181945386 | EXACTMASS 633.181945386 | ||
Latest revision as of 16:22, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
45 50 0 0 0 0 0 0 0 0999 V2000
0.0014 -0.2550 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.0869 0.0372 -3.2109 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.1515 -2.2727 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8894 -3.4575 7.5436 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6766 -3.0633 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6146 -2.2723 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1302 -1.9036 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
3 5 1 0
3 6 1 0
4 7 1 0
4 8 2 0
5 9 2 0
5 10 1 0
6 11 2 0
7 12 1 0
7 13 2 0
8 9 1 0
9 14 1 0
10 15 1 0
10 16 2 0
11 15 1 0
11 17 1 0
12 18 2 0
13 19 1 0
14 20 2 0
16 20 1 0
18 21 1 0
18 22 1 0
19 21 2 0
20 23 1 0
21 24 1 0
27 28 1 0
28 29 1 1
29 30 1 1
31 30 1 1
31 32 1 0
32 27 1 0
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32 34 1 0
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25 26 1 0
37 36 1 1
37 38 1 0
38 39 1 0
40 39 1 0
40 41 1 1
41 36 1 1
36 42 1 0
41 43 1 0
40 44 1 0
39 45 1 0
25 37 1 0
1 28 1 0
M CHG 1 8 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGL0132
KNApSAcK_ID
NAME Pyranocyanin A
CAS_RN 294845-01-5
FORMULA C30H33O15
EXACTMASS 633.181945386
AVERAGEMASS 633.57402
SMILES OC(C1C)C(O)C(O)C(OCC(O2)C(C(C(O)C2Oc(c54)c([o+1]c(c6)c4c(cc6O)OC(=C5)C)c(c3)ccc(c3O)O)O)O)O1
M END
