Mol:FL7AACGA0021
From Metabolomics.JP
(Difference between revisions)
(Created page with "FL7AACGA0021.mol ChemDraw12031213223D 74 80 0 0 0 0 0 0 0 0999 V2000 -0.0450 -3.5445 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9814 1.154...") |
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74 80 0 0 0 0 0 0 0 0999 V2000 | 74 80 0 0 0 0 0 0 0 0999 V2000 | ||
-0.0450 -3.5445 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 | -0.0450 -3.5445 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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53 74 1 0 | 53 74 1 0 | ||
M CHG 1 11 1 | M CHG 1 11 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7AACGA0021 | ID FL7AACGA0021 | ||
| + | KNApSAcK_ID | ||
| + | NAME | ||
| + | CAS_RN 1392691-92-7 | ||
FORMULA C46H49O28 | FORMULA C46H49O28 | ||
EXACTMASS 1049.241035984 | EXACTMASS 1049.241035984 | ||
Latest revision as of 12:43, 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 FL7AACGA0021
KNApSAcK_ID
NAME
CAS_RN 1392691-92-7
FORMULA C46H49O28
EXACTMASS 1049.241035984
AVERAGEMASS 1049.86446
SMILES C(C(O)1)(OC(OC(C3Oc(c(c(c6)ccc(O)c6OC(C7O)OC(C(O)=O)C(O)C(O)7)5)cc(c([o+1]5)4)c(cc(O)c4)O)C(C(C(O3)COC(CC(O)=O)=O)O)O)C(OC(C=Cc(c2)cc(OC)c(c2)O)=O)C(O)1)CO
M END
