PCIDB

KNApSAcK Metabolite C00040610

Metabolite

KNApSAcK Entry

id C00040610
Name Vaccegoside B
CAS RN 55169-24-9
Standard InChI InChI=1S/C70H110O36/c1-25-36(76)52(101-59-48(88)43(83)51(26(2)96-59)100-57-44(84)37(77)29(74)22-93-57)50(90)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(104-61-47(87)42(82)40(80)32(21-72)98-61)53(102-60-46(86)41(81)39(79)31(20-71)97-60)49(89)54(103-63)56(91)105-58-45(85)38(78)30(75)23-94-58/h9,24-26,28-55,57-63,71-72,74-90H,10-23H2,1-8H3
Standard InChI (Main Layer) InChI=1S/C70H110O36/c1-25-36(76)52(101-59-48(88)43(83)51(26(2)96-59)100-57-44(84)37(77)29(74)22-93-57)50(90)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(104-61-47(87)42(82)40(80)32(21-72)98-61)53(102-60-46(86)41(81)39(79)31(20-71)97-60)49(89)54(103-63)56(91)105-58-45(85)38(78)30(75)23-94-58/h9,24-26,28-55,57-63,71-72,74-90H,10-23H2,1-8H3

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
Vaccaria segetalis 39387 Caryophyllaceae eudicotyledons Viridiplantae