Mol:FL7AAGGL0073
From Metabolomics.JP
(Difference between revisions)
(Created page with "FL7AAGGL0072.mol ChemDraw12051215263D 42 47 0 0 0 0 0 0 0 0999 V2000 0.1950 0.4125 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5195 0.825...") |
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42 47 0 0 0 0 0 0 0 0999 V2000 | 42 47 0 0 0 0 0 0 0 0999 V2000 | ||
0.1950 0.4125 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 | 0.1950 0.4125 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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35 1 1 0 | 35 1 1 0 | ||
M CHG 1 8 1 | M CHG 1 8 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7AAGGL0073 | ID FL7AAGGL0073 | ||
| + | KNApSAcK_ID | ||
| + | NAME Pyranodelphinin D | ||
| + | CAS_RN 487021-54-5 | ||
FORMULA C29H25O13 | FORMULA C29H25O13 | ||
EXACTMASS 581.129515886 | EXACTMASS 581.129515886 | ||
Latest revision as of 15:30, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
42 47 0 0 0 0 0 0 0 0999 V2000
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4.0919 -0.2666 -1.0777 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.1778 0.2404 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9207 0.4527 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6683 0.2404 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0548 0.9096 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3118 0.6973 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8033 0.8909 2.1664 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6177 1.2272 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8487 0.6969 2.5960 O 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 2 0
7 13 1 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 1 0
13 19 2 0
14 20 2 0
16 20 1 0
17 21 2 0
17 22 1 0
18 23 2 0
18 24 1 0
19 23 1 0
19 25 1 0
20 26 1 0
21 27 1 0
22 28 2 0
23 29 1 0
27 30 2 0
28 30 1 0
30 31 1 0
34 35 1 0
35 36 1 1
36 37 1 1
38 37 1 1
38 39 1 0
39 34 1 0
34 40 1 0
39 41 1 0
37 33 1 0
38 42 1 0
32 33 1 0
35 1 1 0
M CHG 1 8 1
S SKP 9
AUTODRAW FALSE
ID FL7AAGGL0073
KNApSAcK_ID
NAME Pyranodelphinin D
CAS_RN 487021-54-5
FORMULA C29H25O13
EXACTMASS 581.129515886
AVERAGEMASS 581.501
SMILES c(c(O)5)c(c42)[o+1]c(c(OC(O6)C(O)C(O)C(O)C(CO)6)c2C=C(Oc4c5)c(c3)ccc(c3)O)c(c1)cc(O)c(O)c(O)1
M END
