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Mol:FL3FACDS0012 - 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 51 52<br />
M SBL 1 1 56<br />
M SMT 1 ^CH2OH<br />
M SBV 1 56 -7.4988 4.6759<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 53 54<br />
M SBL 2 1 58<br />
M SMT 2 ^CH2OH<br />
M SBV 2 58 -7.4988 4.6759<br />
S SKP 8<br />
ID FL3FACDS0012<br />
KNApSAcK_ID C00006314<br />
NAME Isoorientin 3',6''-di-O-glucoside<br />
CAS_RN 98568-81-1<br />
FORMULA C33H40O21<br />
EXACTMASS 772.206208342<br />
AVERAGEMASS 772.6581<br />
SMILES O(C(c(c6O)c(c(c(c6)5)C(=O)C=C(O5)c(c4)cc(c(c4)O)OC(O3)C(C(O)C(O)C(CO)3)O)O)1)C(COC(C2O)OC(C(C2O)O)CO)C(O)C(C(O)1)O<br />
M END<br />
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