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Mol:FL7AAAGL0014 - 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 -3.7159 2.1055<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 1.28 -1.9773<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 4.8707 0.2092<br />
S SKP 8<br />
ID FL7AAAGL0014<br />
KNApSAcK_ID C00006649<br />
NAME Pelargonidin 3-sophoroside-7-glucoside<br />
CAS_RN 86279-08-5<br />
FORMULA C33H41O20<br />
EXACTMASS 757.219118752<br />
AVERAGEMASS 757.6666399999999<br />
SMILES Oc(c1)ccc(c([o+1]4)c(O[C@@H](C(O[C@H]([C@@H]6O)OC(CO)[C@@H](O)[C@H]6O)5)O[C@@H]([C@H](O)C5O)CO)cc(c24)c(cc(O[C@H](O3)[C@H]([C@H]([C@H](C3CO)O)O)O)c2)O)c1<br />
M END<br />
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