PCIDB

KNApSAcK Metabolite C00035354

Metabolite

KNApSAcK Entry

id C00035354
Name Nobotanin R
CAS RN 694440-74-9
Standard InChI InChI=1S/C68H50O44/c69-22-1-14(2-23(70)39(22)79)59(94)102-13-34-56(57-58(68(106-34)112-61(96)16-5-26(73)41(81)27(74)6-16)110-65(100)19-9-30(77)43(83)48(88)36(19)35-18(64(99)109-57)8-29(76)42(82)47(35)87)108-66(101)21-10-31(78)45(85)51(91)54(21)104-32-11-20-38(50(90)46(32)86)37-17(7-28(75)44(84)49(37)89)63(98)107-55-33(12-103-62(20)97)105-67(53(93)52(55)92)111-60(95)15-3-24(71)40(80)25(72)4-15/h1-11,33-34,52-53,55-58,67-93H,12-13H2
Standard InChI (Main Layer) InChI=1S/C68H50O44/c69-22-1-14(2-23(70)39(22)79)59(94)102-13-34-56(57-58(68(106-34)112-61(96)16-5-26(73)41(81)27(74)6-16)110-65(100)19-9-30(77)43(83)48(88)36(19)35-18(64(99)109-57)8-29(76)42(82)47(35)87)108-66(101)21-10-31(78)45(85)51(91)54(21)104-32-11-20-38(50(90)46(32)86)37-17(7-28(75)44(84)49(37)89)63(98)107-55-33(12-103-62(20)97)105-67(53(93)52(55)92)111-60(95)15-3-24(71)40(80)25(72)4-15/h1-11,33-34,52-53,55-58,67-93H,12-13H2

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

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
Monochaetum multiflorum 113471 Melastomataceae rosids Viridiplantae