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Mol:FL7AAGGL0014 - 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 54 55<br />
M SBL 3 1 59<br />
M SMT 3 CH2OH<br />
M SVB 3 59 -3.8144 -0.0632<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 52 53<br />
M SBL 2 1 57<br />
M SMT 2 CH2OH<br />
M SVB 2 57 3.7944 -2.4182<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 50 51<br />
M SBL 1 1 55<br />
M SMT 1 CH2OH<br />
M SVB 1 55 0.5231 2.2473<br />
S SKP 8<br />
ID FL7AAGGL0014<br />
KNApSAcK_ID C00006719<br />
NAME Delphinidin 3,7,3'-triglucoside<br />
CAS_RN 64963-58-2<br />
FORMULA C33H41O22<br />
EXACTMASS 789.208947996<br />
AVERAGEMASS 789.66544<br />
SMILES C(O1)(CO)[C@@H]([C@@H]([C@@H]([C@@H]1Oc(c2)cc([o+1]4)c(cc(c4c(c5)cc(O)c(c5O[C@@H]([C@@H](O)6)OC(CO)[C@@H]([C@@H]6O)O)O)O[C@@H](C3O)O[C@H](CO)[C@@H](C(O)3)O)c(O)2)O)O)O<br />
M END<br />
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