Mol:FL7AACGA0017
From Metabolomics.JP
(Difference between revisions)
(Created page with "FL7AACGA0017.mol ChemDraw12031212053D 61 66 0 0 0 0 0 0 0 0999 V2000 0.0667 -3.5445 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8697 1.154...") |
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61 66 0 0 0 0 0 0 0 0999 V2000 | 61 66 0 0 0 0 0 0 0 0999 V2000 | ||
0.0667 -3.5445 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 | 0.0667 -3.5445 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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59 61 2 0 | 59 61 2 0 | ||
M CHG 1 11 1 | M CHG 1 11 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7AACGA0017 | ID FL7AACGA0017 | ||
| + | KNApSAcK_ID | ||
| + | NAME | ||
| + | CAS_RN 1392667-16-1 | ||
FORMULA C39H39O22 | FORMULA C39H39O22 | ||
EXACTMASS 859.193297932 | EXACTMASS 859.193297932 | ||
Latest revision as of 12:33, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
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M CHG 1 11 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGA0017
KNApSAcK_ID
NAME
CAS_RN 1392667-16-1
FORMULA C39H39O22
EXACTMASS 859.193297932
AVERAGEMASS 859.7137600000001
SMILES C(C(C3O)OC(Oc(c4)c(c(c6)ccc(O)c6O)[o+1]c(c5)c4c(cc(O)5)O)C(C3O)OC(C1OC(=O)C=Cc(c2)ccc(c2O)O)OC(C(O)C1O)CO)OC(CC(O)=O)=O
M END
