Mol:FL3FEACS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9435 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9435 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9435 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9435 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3872 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3872 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8309 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8309 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8309 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8309 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3872 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3872 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2746 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2746 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2817 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2817 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2817 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2817 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2746 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2746 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2746 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2746 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1418 2.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.1418 2.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.7474 1.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7474 1.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4905 0.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4905 0.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4836 0.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4836 0.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.0203 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0203 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3253 1.3332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.3253 1.3332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.8453 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8453 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3176 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3176 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1259 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1259 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3872 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3872 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8997 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8997 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4859 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4859 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0721 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0721 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0721 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0721 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4859 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4859 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8997 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8997 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6580 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6580 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3007 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3007 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8007 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8007 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8902 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8902 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1757 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1757 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6313 -1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6313 -1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3457 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3457 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 12 13 1 1 0 0 0 | + | 12 13 1 1 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 15 14 1 1 0 0 0 | + | 15 14 1 1 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 9 1 0 0 0 0 | + | 22 9 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 2 33 1 0 0 0 0 | + | 2 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 34 | + | M SBL 3 1 34 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 34 -0.8902 1.5845 | + | M SVB 3 34 -0.8902 1.5845 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 36 -2.658 -1.5077 | + | M SVB 2 36 -2.658 -1.5077 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -2.3007 -0.338 | + | M SVB 1 32 -2.3007 -0.338 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEACS0001 | + | ID FL3FEACS0001 |
| − | KNApSAcK_ID C00006150 | + | KNApSAcK_ID C00006150 |
| − | NAME Abrusin;8-C-Glucosyl-6,7-di-O-methyl-scutellarein;8-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one | + | NAME Abrusin;8-C-Glucosyl-6,7-di-O-methyl-scutellarein;8-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 120727-02-8 | + | CAS_RN 120727-02-8 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES c(O)(c13)c(OC)c(c([C@H](O4)[C@@H](O)[C@@H](O)[C@H](C4CO)O)c1OC(=CC3=O)c(c2)ccc(c2)O)OC | + | SMILES c(O)(c13)c(OC)c(c([C@H](O4)[C@@H](O)[C@@H](O)[C@H](C4CO)O)c1OC(=CC3=O)c(c2)ccc(c2)O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.9435 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9435 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3872 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8309 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8309 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3872 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2746 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2817 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2817 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2746 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2746 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1418 2.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7474 1.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4905 0.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4836 0.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0203 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3253 1.3332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.8453 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3176 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1259 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3872 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8997 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4859 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0721 -0.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0721 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4859 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8997 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6580 0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3007 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8007 0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8902 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1757 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6313 -1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3457 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
12 13 1 1 0 0 0
13 14 1 1 0 0 0
15 14 1 1 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
12 18 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
6 15 1 0 0 0 0
3 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
22 9 1 0 0 0 0
25 28 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
17 31 1 0 0 0 0
31 32 1 0 0 0 0
2 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 34
M SMT 3 CH2OH
M SVB 3 34 -0.8902 1.5845
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 -2.658 -1.5077
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -2.3007 -0.338
S SKP 8
ID FL3FEACS0001
KNApSAcK_ID C00006150
NAME Abrusin;8-C-Glucosyl-6,7-di-O-methyl-scutellarein;8-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 120727-02-8
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES c(O)(c13)c(OC)c(c([C@H](O4)[C@@H](O)[C@@H](O)[C@H](C4CO)O)c1OC(=CC3=O)c(c2)ccc(c2)O)OC
M END
