Mol:FL5FAAGS0138
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
77 84 0 0 0 0 0 0 0 0999 V2000
4.1197 4.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1197 3.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8342 3.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5487 3.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5487 4.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8342 4.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4052 3.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6908 3.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9763 3.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9763 2.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6908 1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4052 2.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2618 3.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5474 3.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5474 2.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2618 1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6908 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1671 3.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0829 1.9168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1494 4.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2618 1.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8668 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3605 2.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5982 3.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7811 2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2874 3.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0498 3.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2703 3.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6960 4.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2445 2.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7557 2.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7717 2.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2654 2.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5031 2.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6860 2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1923 3.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9547 2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1752 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6009 3.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1494 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.7897 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6150 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8315 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4236 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5983 1.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3817 0.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7956 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3163 0.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9679 -1.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1668 -0.6182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3009 -0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0641 -2.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.6111 -1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.0253 -1.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5638 -2.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2536 -3.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4998 -2.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5522 -2.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4005 -3.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8568 -4.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5766 -3.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1646 -4.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3408 -4.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9283 -3.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1033 -3.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6908 -4.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1033 -4.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9283 -4.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1331 -4.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6913 -2.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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65 66 1 0 0 0 0
S SKP 8
ID FL5FAAGS0138
KNApSAcK_ID C00013805
NAME Kaempferol 3-(2'''-(E)-caffeoylglucosyl)-(1->2)-glucoside-7-cellobioside;3-[[2-O-[2-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-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 220342-45-0
FORMULA C48H56O29
EXACTMASS 1096.29072583
AVERAGEMASS 1096.94084
SMILES C(O)(C(O)2)C(C(OC2Oc(c8)cc(O)c(c83)C(C(OC(C(OC(C6OC(=O)C=Cc(c7)ccc(c7O)O)OC(C(C6O)O)CO)5)OC(CO)C(C(O)5)O)=C(c(c4)ccc(c4)O)O3)=O)CO)OC(C1O)OC(C(O)C(O)1)CO
M END
