PCIDB

KNApSAcK Metabolite C00035320

Metabolite

KNApSAcK Entry

id C00035320
Name Gemin C
CAS RN 84744-47-8
Standard InChI InChI=1S/C68H50O44/c69-12-33-47(88)55(107-59(94)14-1-22(70)39(80)23(71)2-14)57(109-60(95)15-3-24(72)40(81)25(73)4-15)67(104-33)111-61(96)16-5-26(74)41(82)32(6-16)103-53-21(11-31(79)46(87)52(53)93)66(101)112-68-58-56(108-64(99)19-9-29(77)44(85)50(91)37(19)38-20(65(100)110-58)10-30(78)45(86)51(38)92)54-34(105-68)13-102-62(97)17-7-27(75)42(83)48(89)35(17)36-18(63(98)106-54)8-28(76)43(84)49(36)90/h1-11,33-34,47,54-58,67-93H,12-13H2
Standard InChI (Main Layer) InChI=1S/C68H50O44/c69-12-33-47(88)55(107-59(94)14-1-22(70)39(80)23(71)2-14)57(109-60(95)15-3-24(72)40(81)25(73)4-15)67(104-33)111-61(96)16-5-26(74)41(82)32(6-16)103-53-21(11-31(79)46(87)52(53)93)66(101)112-68-58-56(108-64(99)19-9-29(77)44(85)50(91)37(19)38-20(65(100)110-58)10-30(78)45(86)51(38)92)54-34(105-68)13-102-62(97)17-7-27(75)42(83)48(89)35(17)36-18(63(98)106-54)8-28(76)43(84)49(36)90/h1-11,33-34,47,54-58,67-93H,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
Rosaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Geum japonicum 321607 Rosaceae rosids Viridiplantae