PCIDB

KNApSAcK Metabolite C00039599

Metabolite

KNApSAcK Entry

id C00039599
Name Ladyginoside E
CAS RN 53880-85-6
Standard InChI InChI=1S/C72H116O39/c1-67(2)14-16-72(17-15-70(6)25(26(72)18-67)8-9-34-69(5)12-11-35(68(3,4)33(69)10-13-71(34,70)7)107-65-54(94)47(87)56(57(110-65)58(95)96)109-63-51(91)43(83)38(78)29(21-75)103-63)66(97)111-64-52(92)45(85)40(80)31(105-64)23-99-61-53(93)46(86)55(108-62-50(90)42(82)37(77)28(20-74)102-62)32(106-61)24-100-60-49(89)44(84)39(79)30(104-60)22-98-59-48(88)41(81)36(76)27(19-73)101-59/h8,26-57,59-65,73-94H,9-24H2,1-7H3,(H,95,96)
Standard InChI (Main Layer) InChI=1S/C72H116O39/c1-67(2)14-16-72(17-15-70(6)25(26(72)18-67)8-9-34-69(5)12-11-35(68(3,4)33(69)10-13-71(34,70)7)107-65-54(94)47(87)56(57(110-65)58(95)96)109-63-51(91)43(83)38(78)29(21-75)103-63)66(97)111-64-52(92)45(85)40(80)31(105-64)23-99-61-53(93)46(86)55(108-62-50(90)42(82)37(77)28(20-74)102-62)32(106-61)24-100-60-49(89)44(84)39(79)30(104-60)22-98-59-48(88)41(81)36(76)27(19-73)101-59/h8,26-57,59-65,73-94H,9-24H2,1-7H3,(H,95,96)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 49

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ladyginia bucharica 4037 Apiaceae asterids Viridiplantae