Mol:FL7ACIGL0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
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| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
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| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
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| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
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| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 41 1 0 0 0 0 | + | 46 41 1 0 0 0 0 |
| − | 44 47 1 0 0 0 0 | + | 44 47 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7ACIGL0002 | + | ID FL7ACIGL0002 |
| − | KNApSAcK_ID C00014875 | + | KNApSAcK_ID C00014875 |
| − | NAME Hirsutidin 3-O-(6-O-p-coumaroyl)glucoside | + | NAME Hirsutidin 3-O-(6-O-p-coumaroyl)glucoside |
| − | CAS_RN 623571-84-6 | + | CAS_RN 623571-84-6 |
| − | FORMULA C33H33O14 | + | FORMULA C33H33O14 |
| − | EXACTMASS 653.187030764 | + | EXACTMASS 653.187030764 |
| − | AVERAGEMASS 653.60672 | + | AVERAGEMASS 653.60672 |
| − | SMILES Oc(c(OC)5)c(OC)cc(c5)c(c(OC(O3)C(O)C(O)C(O)C(COC(C=Cc(c4)ccc(c4)O)=O)3)2)[o+1]c(c1c2)cc(cc1O)OC | + | SMILES Oc(c(OC)5)c(OC)cc(c5)c(c(OC(O3)C(O)C(O)C(O)C(COC(C=Cc(c4)ccc(c4)O)=O)3)2)[o+1]c(c1c2)cc(cc1O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-1.6016 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6016 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8871 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1727 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1727 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8871 1.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5418 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2563 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2563 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5418 1.6588 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-2.2205 1.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9223 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6367 1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3512 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3512 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6367 2.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9223 2.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9853 2.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.9098 0.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0094 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6367 3.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2681 3.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6562 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8433 -2.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6685 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8774 -1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4639 -0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6387 -0.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4298 -1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3655 -1.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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28 36 1 0 0 0 0
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43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 41 1 0 0 0 0
44 47 1 0 0 0 0
33 37 1 0 0 0 0
S SKP 8
ID FL7ACIGL0002
KNApSAcK_ID C00014875
NAME Hirsutidin 3-O-(6-O-p-coumaroyl)glucoside
CAS_RN 623571-84-6
FORMULA C33H33O14
EXACTMASS 653.187030764
AVERAGEMASS 653.60672
SMILES Oc(c(OC)5)c(OC)cc(c5)c(c(OC(O3)C(O)C(O)C(O)C(COC(C=Cc(c4)ccc(c4)O)=O)3)2)[o+1]c(c1c2)cc(cc1O)OC
M END
