PCIDB

KNApSAcK Metabolite C00030962

Metabolite

KNApSAcK Entry

id C00030962
Name Perennisaponin B
CAS RN 1033766-70-9
Standard InChI InChI=1S/C71H112O31/c1-30(73)21-45(78)91-31(2)22-46(79)92-32(3)23-47(80)93-33(4)24-48(81)98-55-35(6)96-64(59(52(55)85)101-63-58(97-37(8)74)53(86)56(36(7)95-63)99-61-54(87)57(41(76)28-90-61)100-62-51(84)50(83)49(82)34(5)94-62)102-65(89)71-20-19-66(9,10)25-39(71)38-15-16-43-67(11)26-40(75)60(88)68(12,29-72)42(67)17-18-69(43,13)70(38,14)27-44(71)77/h15,30-36,39-44,49-64,72-73,75-77,82-88H,16-29H2,1-14H3/t30-,31-,32-,33-,34-,35+,36-,39-,40-,41+,42+,43+,44+,49-,50+,51+,52-,53+,54+,55-,56-,57-,58+,59+,60-,61-,62-,63-,64?,67-,68-,69+,70+,71+/m0/s1
Standard InChI (Main Layer) InChI=1S/C71H112O31/c1-30(73)21-45(78)91-31(2)22-46(79)92-32(3)23-47(80)93-33(4)24-48(81)98-55-35(6)96-64(59(52(55)85)101-63-58(97-37(8)74)53(86)56(36(7)95-63)99-61-54(87)57(41(76)28-90-61)100-62-51(84)50(83)49(82)34(5)94-62)102-65(89)71-20-19-66(9,10)25-39(71)38-15-16-43-67(11)26-40(75)60(88)68(12,29-72)42(67)17-18-69(43,13)70(38,14)27-44(71)77/h15,30-36,39-44,49-64,72-73,75-77,82-88H,16-29H2,1-14H3

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
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bellis perennis 41492 Asteraceae asterids Viridiplantae