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Mol:FL3FAADS0016 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 48 49<br />
M SBL 1 1 53<br />
M SMT 1 CH2OH<br />
M SBV 1 53 -5.0814 8.0676<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 50 51<br />
M SBL 2 1 55<br />
M SMT 2 ^CH2OH<br />
M SBV 2 55 -5.5313 7.8872<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 52 53<br />
M SBL 3 1 57<br />
M SMT 3 ^CH2OH<br />
M SBV 3 57 -5.5076 7.8872<br />
S SKP 8<br />
ID FL3FAADS0016<br />
KNApSAcK_ID C00006321<br />
NAME Isovitexin 7-O-galactoside-2''-O-glucoside<br />
CAS_RN 72021-35-3<br />
FORMULA C33H40O20<br />
EXACTMASS 756.21129372<br />
AVERAGEMASS 756.6587<br />
SMILES C(=C5)(c(c6)ccc(O)c6)Oc(c(C5=O)1)cc(OC(O4)C(C(O)C(O)C4CO)O)c(C(C2OC(C3O)OC(C(C3O)O)CO)OC(CO)C(C(O)2)O)c1O<br />
M END<br />
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