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Mol:FL3FAADS0030 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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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 SVB 3 57 -3.7276 -2.4622<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 SVB 2 55 -3.0906 -0.5712<br />
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 SVB 1 53 4.1676 3.0584<br />
S SKP 8<br />
ID FL3FAADS0030<br />
KNApSAcK_ID C00006407<br />
NAME Isovitexin 4',2''-di-O-glucoside<br />
CAS_RN 63316-27-8<br />
FORMULA C33H40O20<br />
EXACTMASS 756.21129372<br />
AVERAGEMASS 756.6587<br />
SMILES O=C(C=4)c(c(O)1)c(OC4c(c6)ccc(c6)O[C@H](O5)[C@@H](O)[C@H]([C@@H](O)C(CO)5)O)cc(O)c1[C@@H]([C@@H](O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@H](O)3)O)2)OC(CO)[C@H](O)[C@@H]2O<br />
M END<br />
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