KNApSAcK Metabolite C00005363
Metabolite
KNApSAcK Entry
| id | C00005363 |
|---|---|
| Name | Sexangularetin 3-rutinoside-7-glucoside |
| CAS RN | 106009-65-8 |
| Standard InChI | InChI=1S/C34H42O21/c1-10-18(38)22(42)25(45)32(50-10)49-9-16-20(40)24(44)27(47)34(53-16)55-31-21(41)17-13(37)7-14(51-33-26(46)23(43)19(39)15(8-35)52-33)29(48-2)30(17)54-28(31)11-3-5-12(36)6-4-11/h3-7,10,15-16,18-20,22-27,32-40,42-47H,8-9H2,1-2H3/t10?,15?,16?,18-,19+,20+,22-,23-,24?,25?,26?,27?,32+,33+,34-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C34H42O21/c1-10-18(38)22(42)25(45)32(50-10)49-9-16-20(40)24(44)27(47)34(53-16)55-31-21(41)17-13(37)7-14(51-33-26(46)23(43)19(39)15(8-35)52-33)29(48-2)30(17)54-28(31)11-3-5-12(36)6-4-11/h3-7,10,15-16,18-20,22-27,32-40,42-47H,8-9H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 5 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
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CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Zygophyllaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Fagonia arabica | 291457 | Zygophyllaceae | rosids | Viridiplantae |
| Fagonia taeckholmiana | 66628 | Zygophyllaceae | rosids | Viridiplantae |