PCIDB

KNApSAcK Metabolite C00040896

Metabolite

KNApSAcK Entry

id C00040896
Name Beciumecine 2 / (-)-Beciumecine 2
CAS RN 220788-71-6
Standard InChI InChI=1S/C58H94O28/c1-22-32(66)35(69)38(72)48(79-22)83-43-29(65)19-77-47(41(43)75)82-42-23(2)80-49(40(74)37(42)71)84-44-33(67)28(64)18-78-51(44)86-52(76)57-12-10-53(3,4)14-25(57)24-8-9-31-54(5)15-27(63)46(85-50-39(73)36(70)34(68)30(17-59)81-50)58(20-60,21-61)45(54)26(62)16-56(31,7)55(24,6)11-13-57/h8,22-23,25-51,59-75H,9-21H2,1-7H3/t22-,23-,25-,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44+,45+,46-,47-,48-,49-,50-,51-,54+,55+,56+,57-/m0/s1
Standard InChI (Main Layer) InChI=1S/C58H94O28/c1-22-32(66)35(69)38(72)48(79-22)83-43-29(65)19-77-47(41(43)75)82-42-23(2)80-49(40(74)37(42)71)84-44-33(67)28(64)18-78-51(44)86-52(76)57-12-10-53(3,4)14-25(57)24-8-9-31-54(5)15-27(63)46(85-50-39(73)36(70)34(68)30(17-59)81-50)58(20-60,21-61)45(54)26(62)16-56(31,7)55(24,6)11-13-57/h8,22-23,25-51,59-75H,9-21H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

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
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Becium grandiflorum var.obovatum 4136 Lamiaceae asterids Viridiplantae