Mol:FL5FACGL0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-1.8658 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.1969 0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.1969 -0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9155 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4825 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0495 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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33 47 1 0 0 0 0
S SKP 8
ID FL5FACGL0029
KNApSAcK_ID C00005455
NAME Quercetin 3-(2G-rhamnosylgentiobioside)
CAS_RN 55780-29-5
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES O(C(CO)6)C(C(O)C(C(O)6)O)OCC(C(O)4)OC(C(OC(O5)C(C(O)C(C5C)O)O)C4O)OC(=C2c(c3)cc(c(c3)O)O)C(=O)c(c(O2)1)c(cc(O)c1)O
M END
