PCIDB

KNApSAcK Metabolite C00044369

Metabolite

KNApSAcK Entry

id C00044369
Name Vaccaroside F
CAS RN 211508-51-9
Standard InChI InChI=1S/C65H102O33/c1-23-46(93-53-42(78)35(71)28(69)22-86-53)41(77)45(81)54(87-23)97-51-50(96-55-43(79)37(73)30(21-67)91-55)47(89-25(3)68)24(2)88-58(51)98-59(84)65-17-16-60(4,5)18-27(65)26-10-11-31-61(6)14-13-34(64(9,85)32(61)12-15-62(31,7)63(26,8)19-33(65)70)92-57-49(40(76)39(75)48(94-57)52(82)83)95-56-44(80)38(74)36(72)29(20-66)90-56/h10,23-24,27-51,53-58,66-67,69-81,85H,11-22H2,1-9H3,(H,82,83)/t23-,24+,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+,53-,54-,55-,56-,57+,58-,61+,62+,63+,64-,65+/m0/s1
Standard InChI (Main Layer) InChI=1S/C65H102O33/c1-23-46(93-53-42(78)35(71)28(69)22-86-53)41(77)45(81)54(87-23)97-51-50(96-55-43(79)37(73)30(21-67)91-55)47(89-25(3)68)24(2)88-58(51)98-59(84)65-17-16-60(4,5)18-27(65)26-10-11-31-61(6)14-13-34(64(9,85)32(61)12-15-62(31,7)63(26,8)19-33(65)70)92-57-49(40(76)39(75)48(94-57)52(82)83)95-56-44(80)38(74)36(72)29(20-66)90-56/h10,23-24,27-51,53-58,66-67,69-81,85H,11-22H2,1-9H3,(H,82,83)

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