Mol:FL7AACGA0020
From Metabolomics.JP
(Difference between revisions)
(Created page with "FL7AACGA0021.mol ChemDraw12031213213D 73 79 0 0 0 0 0 0 0 0999 V2000 0.0667 -3.5445 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8697 1.154...") |
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73 79 0 0 0 0 0 0 0 0999 V2000 | 73 79 0 0 0 0 0 0 0 0999 V2000 | ||
0.0667 -3.5445 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 | 0.0667 -3.5445 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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61 73 2 0 | 61 73 2 0 | ||
M CHG 1 11 1 | M CHG 1 11 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7AACGA0020 | ID FL7AACGA0020 | ||
| + | KNApSAcK_ID | ||
| + | NAME | ||
| + | CAS_RN 1392667-32-1 | ||
FORMULA C45H47O28 | FORMULA C45H47O28 | ||
EXACTMASS 1035.22538592 | EXACTMASS 1035.22538592 | ||
Latest revision as of 12:41, 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 FL7AACGA0020
KNApSAcK_ID
NAME
CAS_RN 1392667-32-1
FORMULA C45H47O28
EXACTMASS 1035.22538592
AVERAGEMASS 1035.83788
SMILES O(C1Oc(c6)c([o+1]c(c7)c6c(cc(O)7)O)c(c4)ccc(O)c4OC(O5)C(O)C(C(C5C(O)=O)O)O)C(COC(CC(O)=O)=O)C(C(C(OC(C(OC(=O)C=Cc(c3)ccc(O)c(O)3)2)OC(CO)C(O)C2O)1)O)O
M END
