Mol:FL7D1DNS0001
From Metabolomics.JP
(Difference between revisions)
(Created page with "84018-31-5.mol ChemDraw12031210042D 31 35 0 0 0 0 0 0 0 0999 V2000 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 -0.8250 ...") |
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31 35 0 0 0 0 0 0 0 0999 V2000 | 31 35 0 0 0 0 0 0 0 0999 V2000 | ||
-1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7D1DNS0001 | ID FL7D1DNS0001 | ||
| + | KNApSAcK_ID | ||
| + | NAME Sphagnorubin C | ||
| + | CAS_RN 84018-31-5 | ||
FORMULA C25H18O6 | FORMULA C25H18O6 | ||
EXACTMASS 414.110338308 | EXACTMASS 414.110338308 | ||
Latest revision as of 16:02, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
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3.2151 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.9296 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6440 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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29 31 1 0
S SKP 9
AUTODRAW FALSE
ID FL7D1DNS0001
KNApSAcK_ID
NAME Sphagnorubin C
CAS_RN 84018-31-5
FORMULA C25H18O6
EXACTMASS 414.110338308
AVERAGEMASS 414.40682
SMILES COc(c(O)5)cc(cc5)C(=C4)Oc(c3)c(=C4)c(c1)c(c(OC)3)c(c2)c(cc(O)c(=O)2)c1
M END
