Mol:FL7AAGGL0052
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
83 90 0 0 0 0 0 0 0 0999 V2000
-1.6660 0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6660 -0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1919 0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4774 1.1967 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.9685 1.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6829 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3974 1.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3974 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6829 2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9685 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3420 -2.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7110 -3.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2352 -3.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2491 2.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0475 3.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8409 2.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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55 22 1 0 0 0 0
S SKP 8
ID FL7AAGGL0052
KNApSAcK_ID C00014803
NAME Delphinidin 3-(6-malonylglucoside)-3',5'-di-(6-p-coumaroylglucoside);Ternatin D3
CAS_RN 215378-79-3
FORMULA C54H55O29
EXACTMASS 1167.282900798
AVERAGEMASS 1167.9971
SMILES c(c7)(OC(C(O)8)OC(COC(CC(O)=O)=O)C(O)C8O)c([o+1]c(c76)cc(cc6O)O)c(c3)cc(c(O)c3OC(O4)C(C(O)C(C4COC(=O)C=Cc(c5)ccc(O)c5)O)O)OC(O1)C(C(O)C(C1COC(=O)C=Cc(c2)ccc(O)c2)O)O
M END
