KNApSAcK Metabolite C00013820
Metabolite
KNApSAcK Entry
| id | C00013820 |
|---|---|
| Name | Kaempferol 4'-methyl ether 3-(2Glc-glucosylrutinoside) / 3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| CAS RN | 345306-69-6 |
| Standard InChI | InChI=1S/C34H42O20/c1-11-20(38)24(42)27(45)32(49-11)48-10-18-22(40)26(44)31(54-33-28(46)25(43)21(39)17(9-35)51-33)34(52-18)53-30-23(41)19-15(37)7-13(36)8-16(19)50-29(30)12-3-5-14(47-2)6-4-12/h3-8,11,17-18,20-22,24-28,31-40,42-46H,9-10H2,1-2H3/t11?,17?,18?,20-,21+,22+,24?,25-,26-,27-,28?,31?,32+,33-,34-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C34H42O20/c1-11-20(38)24(42)27(45)32(49-11)48-10-18-22(40)26(44)31(54-33-28(46)25(43)21(39)17(9-35)51-33)34(52-18)53-30-23(41)19-15(37)7-13(36)8-16(19)50-29(30)12-3-5-14(47-2)6-4-12/h3-8,11,17-18,20-22,24-28,31-40,42-46H,9-10H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 5 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Caryophyllaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Dianthus caryophyllus | 3570 | Caryophyllaceae | eudicotyledons | Viridiplantae |