KNApSAcK Metabolite C00013925
Metabolite
KNApSAcK Entry
| id | C00013925 |
|---|---|
| Name | Isorhamnetin 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3'''-(E)-p-coumaroylgalactoside]-7-rhamnoside / Quercetin 3'-methyl ether 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3'''-(E)-p-coumaroylgalactoside]-7-rhamnoside / 3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one |
| CAS RN | 412929-26-1 |
| Standard InChI | InChI=1S/C49H58O26/c1-17-31(54)36(59)39(62)46(67-17)66-16-28-34(57)43(73-29(53)12-7-20-5-9-22(50)10-6-20)45(75-48-41(64)38(61)33(56)19(3)69-48)49(72-28)74-44-35(58)30-25(52)14-23(70-47-40(63)37(60)32(55)18(2)68-47)15-27(30)71-42(44)21-8-11-24(51)26(13-21)65-4/h5-15,17-19,28,31-34,36-41,43,45-52,54-57,59-64H,16H2,1-4H3/b12-7+/t17?,18?,19?,28?,31-,32-,33-,34-,36?,37?,38?,39-,40-,41-,43-,45?,46+,47-,48-,49-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C49H58O26/c1-17-31(54)36(59)39(62)46(67-17)66-16-28-34(57)43(73-29(53)12-7-20-5-9-22(50)10-6-20)45(75-48-41(64)38(61)33(56)19(3)69-48)49(72-28)74-44-35(58)30-25(52)14-23(70-47-40(63)37(60)32(55)18(2)68-47)15-27(30)71-42(44)21-8-11-24(51)26(13-21)65-4/h5-15,17-19,28,31-34,36-41,43,45-52,54-57,59-64H,16H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 7 |
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 |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Apocynaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Rhazya orientalis | 141609 | Apocynaceae | asterids | Viridiplantae |