Mol:FL7AAGGL0076
From Metabolomics.JP
(Difference between revisions)
(Created page with "FL7AAGGL0075.mol ChemDraw12051216123D 36 40 0 0 0 0 0 0 0 0999 V2000 0.0330 -0.8250 -2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6816 -0.412...") |
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36 40 0 0 0 0 0 0 0 0999 V2000 | 36 40 0 0 0 0 0 0 0 0999 V2000 | ||
0.0330 -0.8250 -2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 | 0.0330 -0.8250 -2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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1 29 1 0 | 1 29 1 0 | ||
M CHG 1 8 1 | M CHG 1 8 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7AAGGL0076 | ID FL7AAGGL0076 | ||
| + | KNApSAcK_ID | ||
| + | NAME Pyranodelphinin B | ||
| + | CAS_RN 294845-04-8 | ||
FORMULA C24H23O12 | FORMULA C24H23O12 | ||
EXACTMASS 503.1189512 | EXACTMASS 503.1189512 | ||
Latest revision as of 16:26, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
36 40 0 0 0 0 0 0 0 0999 V2000
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4.1642 -0.7268 2.5962 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 1 0
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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
19 25 1 0
28 29 1 0
29 30 1 1
30 31 1 1
32 31 1 1
32 33 1 0
33 28 1 0
28 34 1 0
33 35 1 0
31 27 1 0
32 36 1 0
26 27 1 0
1 29 1 0
M CHG 1 8 1
S SKP 9
AUTODRAW FALSE
ID FL7AAGGL0076
KNApSAcK_ID
NAME Pyranodelphinin B
CAS_RN 294845-04-8
FORMULA C24H23O12
EXACTMASS 503.1189512
AVERAGEMASS 503.43222
SMILES OCC(O1)C(O)C(O)C(O)C1Oc(c2c(c5)cc(O)c(O)c(O)5)c(C=4)c(c3OC(C)4)c(cc(O)c3)[o+1]2
M END
