KNApSAcK Metabolite C00035350
Metabolite
KNApSAcK Entry
| id | C00035350 |
|---|---|
| Name | Nobotanin I |
| CAS RN | 113900-94-0 |
| Standard InChI | InChI=1S/C89H58O56/c90-28-1-17(2-29(91)50(28)101)77(120)131-15-42-72-74-76(88(136-42)144-78(121)18-3-30(92)51(102)31(93)4-18)143-83(126)22-9-36(98)55(106)63(114)46(22)48-24(85(128)141-74)13-39(58(109)65(48)116)133-69-26(10-37(99)56(107)67(69)118)86(129)135-41-12-23-47(64(115)60(41)111)44-20(7-34(96)53(104)61(44)112)81(124)138-71-43(16-132-80(23)123)137-89(145-79(122)19-5-32(94)52(103)33(95)6-19)75-73(71)140-84(127)25-14-40(134-70-27(87(130)139-72)11-38(100)57(108)68(70)119)59(110)66(117)49(25)45-21(82(125)142-75)8-35(97)54(105)62(45)113/h1-14,42-43,71-76,88-119H,15-16H2 |
| Standard InChI (Main Layer) | InChI=1S/C89H58O56/c90-28-1-17(2-29(91)50(28)101)77(120)131-15-42-72-74-76(88(136-42)144-78(121)18-3-30(92)51(102)31(93)4-18)143-83(126)22-9-36(98)55(106)63(114)46(22)48-24(85(128)141-74)13-39(58(109)65(48)116)133-69-26(10-37(99)56(107)67(69)118)86(129)135-41-12-23-47(64(115)60(41)111)44-20(7-34(96)53(104)61(44)112)81(124)138-71-43(16-132-80(23)123)137-89(145-79(122)19-5-32(94)52(103)33(95)6-19)75-73(71)140-84(127)25-14-40(134-70-27(87(130)139-72)11-38(100)57(108)68(70)119)59(110)66(117)49(25)45-21(82(125)142-75)8-35(97)54(105)62(45)113/h1-14,42-43,71-76,88-119H,15-16H2 |
Cluster
| Phytochemical cluster | No. 81 |
|---|---|
| KCF-S cluster | No. 126 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C063355 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Melastomataceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Medinilla magnifica | 119890 | Melastomataceae | rosids | Viridiplantae |
| Tibouchina multiflora | 1421375 | Melastomataceae | rosids | Viridiplantae |