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Mol:FL7AACGL0066 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 64 65<br />
M SBL 2 1 70<br />
M SMT 2 CH2OH<br />
M SVB 2 70 -0.0489 -2.5127<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 42<br />
M SMT 1 CH2OH<br />
M SVB 1 42 -4.0393 -1.0523<br />
S SKP 8<br />
ID FL7AACGL0066<br />
KNApSAcK_ID C00006842<br />
NAME Cyanidin 3-(6''-p-coumarylsophoroside)-5-glucoside<br />
CAS_RN 119722-80-4,107500-81-2<br />
FORMULA C42H47O23<br />
EXACTMASS 919.25081281<br />
AVERAGEMASS 919.8087800000001<br />
SMILES O([C@H]1Oc(c24)cc(O)cc([o+1]c(c(O[C@H]([C@H](O[C@@H]([C@@H](O)7)OC(CO)[C@H](O)[C@H](O)7)5)OC(COC(C=Cc(c6)ccc(c6)O)=O)[C@@H](O)[C@H]5O)c4)c(c3)ccc(c(O)3)O)2)C([C@@H]([C@@H]([C@H](O)1)O)O)CO<br />
M END<br />
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