KNApSAcK Metabolite C00035703
Metabolite
KNApSAcK Entry
| id | C00035703 |
|---|---|
| Name | Nobotanin B |
| CAS RN | 104696-16-4 |
| Standard InChI | InChI=1S/C82H56O52/c83-26-1-16(2-27(84)47(26)95)71(112)122-14-39-66(68-69(81(125-39)133-72(113)17-3-28(85)48(96)29(86)4-17)131-78(119)23-11-36(93)53(101)60(108)44(23)43-21(76(117)130-68)9-34(91)52(100)59(43)107)128-80(121)25-12-37(94)55(103)63(111)64(25)124-38-13-24-46(62(110)56(38)104)45-22(10-35(92)54(102)61(45)109)77(118)129-67-65-40(126-82(70(67)132-79(24)120)134-73(114)18-5-30(87)49(97)31(88)6-18)15-123-74(115)19-7-32(89)50(98)57(105)41(19)42-20(75(116)127-65)8-33(90)51(99)58(42)106/h1-13,39-40,65-70,81-111H,14-15H2 |
| Standard InChI (Main Layer) | InChI=1S/C82H56O52/c83-26-1-16(2-27(84)47(26)95)71(112)122-14-39-66(68-69(81(125-39)133-72(113)17-3-28(85)48(96)29(86)4-17)131-78(119)23-11-36(93)53(101)60(108)44(23)43-21(76(117)130-68)9-34(91)52(100)59(43)107)128-80(121)25-12-37(94)55(103)63(111)64(25)124-38-13-24-46(62(110)56(38)104)45-22(10-35(92)54(102)61(45)109)77(118)129-67-65-40(126-82(70(67)132-79(24)120)134-73(114)18-5-30(87)49(97)31(88)6-18)15-123-74(115)19-7-32(89)50(98)57(105)41(19)42-20(75(116)127-65)8-33(90)51(99)58(42)106/h1-13,39-40,65-70,81-111H,14-15H2 |
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 | C075603 |
|---|
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 |
|---|---|---|---|---|
| Monochaetum multiflorum | 113471 | Melastomataceae | rosids | Viridiplantae |
| Tibouchina multiflora | 1421375 | Melastomataceae | rosids | Viridiplantae |