Mol:FL7AACGL0121
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
124135 0 0 0 0 0 0 0 0999 V2000
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4.1001 1.1400 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.7376 4.6542 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5241 3.8573 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
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1 3 2 0
2 6 1 0
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3 8 1 0
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6 11 1 0
6 12 2 0
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8 13 2 0
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9 16 1 0
10 17 1 0
10 18 2 0
11 19 2 0
12 20 1 0
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14 22 1 0
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17 25 2 0
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88 87 1 1
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100 99 1 1
100101 1 0
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101102 1 0
100103 1 0
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85 1 1 0
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105106 1 0
106107 1 1
107108 1 1
109108 1 1
109110 1 0
110105 1 0
105111 1 0
110112 1 0
109113 1 0
108104 1 0
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51106 1 0
114115 1 1
116115 1 1
117116 1 1
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118119 1 0
119114 1 0
116120 1 0
114121 1 0
115122 1 0
119123 1 0
123124 1 0
63117 1 0
M CHG 1 7 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGL0121
KNApSAcK_ID
NAME
CAS_RN 865377-15-7
FORMULA C78H89O44
EXACTMASS 1729.472671216
AVERAGEMASS 1730.51486
SMILES Oc(c1)c(OCC(C(O)%12)OC(C(O)C%12O)OC(=O)C=Cc(c%10)cc(O)c(OC(O%11)C(O)C(C(O)C%11CO)O)c%10)ccc1C=CC(OC(C2OC(C(O)3)C(Oc(c8c(c9)cc(O)c(O)c9)cc(c6[o+1]8)c(OC(O7)C(C(O)C(C7CO)O)O)cc(c6)O)OC(COC(C(=C(c(c5)cc(OC)c(c5)OC(C(O)4)OC(C(O)C(O)4)CO)[H])[H])=O)C3O)C(O)C(CO2)O)=O
M END
