KNApSAcK Metabolite C00013889
Metabolite
KNApSAcK Entry
| id | C00013889 |
|---|---|
| Name | Quercetin 3-sophoroside-7-(6''-(E)-caffeoylglucoside) / 2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one |
| CAS RN | 247576-99-4 |
| Standard InChI | InChI=1S/C42H46O25/c43-11-23-28(51)32(55)36(59)41(63-23)67-39-34(57)29(52)24(12-44)64-42(39)66-38-31(54)27-21(49)9-16(10-22(27)62-37(38)15-3-5-18(46)20(48)8-15)61-40-35(58)33(56)30(53)25(65-40)13-60-26(50)6-2-14-1-4-17(45)19(47)7-14/h1-10,23-25,28-30,32-36,39-49,51-53,55-59H,11-13H2/b6-2+/t23?,24?,25?,28-,29-,30-,32+,33+,34+,35?,36?,39?,40-,41+,42+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C42H46O25/c43-11-23-28(51)32(55)36(59)41(63-23)67-39-34(57)29(52)24(12-44)64-42(39)66-38-31(54)27-21(49)9-16(10-22(27)62-37(38)15-3-5-18(46)20(48)8-15)61-40-35(58)33(56)30(53)25(65-40)13-60-26(50)6-2-14-1-4-17(45)19(47)7-14/h1-10,23-25,28-30,32-36,39-49,51-53,55-59H,11-13H2 |
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 |
|---|---|
| Liliopsida | 1 |
Family
| family name | count |
|---|---|
| Araceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Symplocarpus renifolius | 477955 | Araceae | Liliopsida | Viridiplantae |