PCIDB

KNApSAcK Metabolite C00043543

Metabolite

KNApSAcK Entry

id C00043543
Name Glanduloside B
CAS RN 745031-67-8
Standard InChI InChI=1S/C71H110O36/c1-26-38(78)52(98-28(3)74)55(105-61-47(87)43(83)50(27(2)97-61)101-60-49(89)51(33(77)24-95-60)102-58-44(84)39(79)31(75)22-93-58)63(96-26)107-65(92)71-18-16-66(4,5)20-30(71)29-10-11-36-67(6)14-13-37(68(7,25-73)35(67)12-15-70(36,9)69(29,8)17-19-71)100-64-56(106-62-46(86)42(82)41(81)34(21-72)99-62)53(48(88)54(104-64)57(90)91)103-59-45(85)40(80)32(76)23-94-59/h10,25-27,30-56,58-64,72,75-89H,11-24H2,1-9H3,(H,90,91)/t26-,27+,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48+,49-,50+,51+,52+,53+,54+,55-,56-,58+,59+,60+,61+,62+,63+,64?,67+,68+,69-,70-,71+/m1/s1
Standard InChI (Main Layer) InChI=1S/C71H110O36/c1-26-38(78)52(98-28(3)74)55(105-61-47(87)43(83)50(27(2)97-61)101-60-49(89)51(33(77)24-95-60)102-58-44(84)39(79)31(75)22-93-58)63(96-26)107-65(92)71-18-16-66(4,5)20-30(71)29-10-11-36-67(6)14-13-37(68(7,25-73)35(67)12-15-70(36,9)69(29,8)17-19-71)100-64-56(106-62-46(86)42(82)41(81)34(21-72)99-62)53(48(88)54(104-64)57(90)91)103-59-45(85)40(80)32(76)23-94-59/h10,25-27,30-56,58-64,72,75-89H,11-24H2,1-9H3,(H,90,91)

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
eudicotyledons 1

Family

family name count
Caryophyllaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Acanthophyllum glandulosum 325475 Caryophyllaceae eudicotyledons Viridiplantae