Mol:FL5FAAGS0099
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 65 71 0 0 0 0 0 0 0 0999 V2000 | + | 65 71 0 0 0 0 0 0 0 0999 V2000 |
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| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
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| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 32 1 0 0 0 0 | + | 36 32 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 44 52 1 0 0 0 0 | + | 44 52 1 0 0 0 0 |
| − | 45 53 1 0 0 0 0 | + | 45 53 1 0 0 0 0 |
| − | 46 54 1 0 0 0 0 | + | 46 54 1 0 0 0 0 |
| − | 55 56 1 1 0 0 0 | + | 55 56 1 1 0 0 0 |
| − | 56 57 1 1 0 0 0 | + | 56 57 1 1 0 0 0 |
| − | 58 57 1 1 0 0 0 | + | 58 57 1 1 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 55 1 0 0 0 0 | + | 60 55 1 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 55 63 1 0 0 0 0 | + | 55 63 1 0 0 0 0 |
| − | 56 64 1 0 0 0 0 | + | 56 64 1 0 0 0 0 |
| − | 57 65 1 0 0 0 0 | + | 57 65 1 0 0 0 0 |
| − | 58 52 1 0 0 0 0 | + | 58 52 1 0 0 0 0 |
| − | 18 47 1 0 0 0 0 | + | 18 47 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0099 | + | ID FL5FAAGS0099 |
| − | KNApSAcK_ID C00013766 | + | KNApSAcK_ID C00013766 |
| − | NAME Kaempferol 3-sophoroside-7-cellobioside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-sophoroside-7-cellobioside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 220342-42-7 | + | CAS_RN 220342-42-7 |
| − | FORMULA C39H50O26 | + | FORMULA C39H50O26 |
| − | EXACTMASS 934.2590317720001 | + | EXACTMASS 934.2590317720001 |
| − | AVERAGEMASS 934.7987 | + | AVERAGEMASS 934.7987 |
| − | SMILES O(C(C7CO)C(O)C(O)C(O7)Oc(c6)cc(c(c65)C(=O)C(=C(O5)c(c4)ccc(O)c4)OC(O3)C(C(C(O)C(CO)3)O)OC(C2O)OC(CO)C(C(O)2)O)O)C(C(O)1)OC(CO)C(C(O)1)O | + | SMILES O(C(C7CO)C(O)C(O)C(O7)Oc(c6)cc(c(c65)C(=O)C(=C(O5)c(c4)ccc(O)c4)OC(O3)C(C(C(O)C(CO)3)O)OC(C2O)OC(CO)C(C(O)2)O)O)C(C(O)1)OC(CO)C(C(O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
4.0857 3.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0857 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8001 2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5146 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5146 3.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8001 3.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3712 2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6567 2.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9423 2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9423 1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6567 0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3712 1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2278 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5133 2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5133 1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2278 0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6567 0.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.3670 -0.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL5FAAGS0099
KNApSAcK_ID C00013766
NAME Kaempferol 3-sophoroside-7-cellobioside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 220342-42-7
FORMULA C39H50O26
EXACTMASS 934.2590317720001
AVERAGEMASS 934.7987
SMILES O(C(C7CO)C(O)C(O)C(O7)Oc(c6)cc(c(c65)C(=O)C(=C(O5)c(c4)ccc(O)c4)OC(O3)C(C(C(O)C(CO)3)O)OC(C2O)OC(CO)C(C(O)2)O)O)C(C(O)1)OC(CO)C(C(O)1)O
M END
