PCIDB

KNApSAcK Metabolite C00035353

Metabolite

KNApSAcK Entry

id C00035353
Name Nobotanin N
CAS RN 238750-62-4
Standard InChI InChI=1S/C95H70O62/c96-15-43(110)65(122)78(44(111)17-144-84(133)20-1-31(98)56(113)32(99)2-20)151-93(142)29-11-41(108)63(120)74(131)76(29)148-47-14-28-55(73(130)67(47)124)53-26(10-40(107)62(119)71(53)128)91(140)155-82-81-49(150-95(83(82)156-92(28)141)157-86(135)22-5-35(102)58(115)36(103)6-22)19-146-87(136)27-13-46(66(123)72(129)54(27)52-25(90(139)154-81)9-39(106)61(118)70(52)127)147-77-30(12-42(109)64(121)75(77)132)94(143)152-79(45(112)18-145-85(134)21-3-33(100)57(114)34(101)4-21)80-48(16-97)149-88(137)23-7-37(104)59(116)68(125)50(23)51-24(89(138)153-80)8-38(105)60(117)69(51)126/h1-16,43-45,48-49,65,78-83,95,98-132H,17-19H2
Standard InChI (Main Layer) InChI=1S/C95H70O62/c96-15-43(110)65(122)78(44(111)17-144-84(133)20-1-31(98)56(113)32(99)2-20)151-93(142)29-11-41(108)63(120)74(131)76(29)148-47-14-28-55(73(130)67(47)124)53-26(10-40(107)62(119)71(53)128)91(140)155-82-81-49(150-95(83(82)156-92(28)141)157-86(135)22-5-35(102)58(115)36(103)6-22)19-146-87(136)27-13-46(66(123)72(129)54(27)52-25(90(139)154-81)9-39(106)61(118)70(52)127)147-77-30(12-42(109)64(121)75(77)132)94(143)152-79(45(112)18-145-85(134)21-3-33(100)57(114)34(101)4-21)80-48(16-97)149-88(137)23-7-37(104)59(116)68(125)50(23)51-24(89(138)153-80)8-38(105)60(117)69(51)126/h1-16,43-45,48-49,65,78-83,95,98-132H,17-19H2

Cluster

Phytochemical cluster
KCF-S cluster No. 457

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Melastomataceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Tibouchina semidecandra 596822 Melastomataceae rosids Viridiplantae