PCIDB

KNApSAcK Metabolite C00043544

Metabolite

KNApSAcK Entry

id C00043544
Name Glanduloside C / (+)-Glanduloside C
CAS RN 745031-68-9
Standard InChI InChI=1S/C73H112O37/c1-27-51(104-62-50(91)53(35(80)25-97-62)105-60-45(86)40(81)33(78)23-95-60)44(85)48(89)63(98-27)109-58-56(101-30(4)77)52(100-29(3)76)28(2)99-65(58)110-67(94)73-19-17-68(5,6)21-32(73)31-11-12-38-69(7)15-14-39(70(8,26-75)37(69)13-16-72(38,10)71(31,9)18-20-73)103-66-57(108-64-47(88)43(84)42(83)36(22-74)102-64)54(49(90)55(107-66)59(92)93)106-61-46(87)41(82)34(79)24-96-61/h11,26-28,32-58,60-66,74,78-91H,12-25H2,1-10H3,(H,92,93)/t27-,28+,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-,57+,58+,60-,61-,62-,63-,64-,65-,66?,69-,70-,71+,72+,73-/m0/s1
Standard InChI (Main Layer) InChI=1S/C73H112O37/c1-27-51(104-62-50(91)53(35(80)25-97-62)105-60-45(86)40(81)33(78)23-95-60)44(85)48(89)63(98-27)109-58-56(101-30(4)77)52(100-29(3)76)28(2)99-65(58)110-67(94)73-19-17-68(5,6)21-32(73)31-11-12-38-69(7)15-14-39(70(8,26-75)37(69)13-16-72(38,10)71(31,9)18-20-73)103-66-57(108-64-47(88)43(84)42(83)36(22-74)102-64)54(49(90)55(107-66)59(92)93)106-61-46(87)41(82)34(79)24-96-61/h11,26-28,32-58,60-66,74,78-91H,12-25H2,1-10H3,(H,92,93)

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