PCIDB

KNApSAcK Metabolite C00044559

Metabolite

KNApSAcK Entry

id C00044559
Name Atroximasaponin F2
CAS RN 610272-76-9
Standard InChI InChI=1S/C71H104O33/c1-29-54(100-59-50(85)44(79)37(76)26-94-59)49(84)53(88)60(95-29)102-57-56(101-61-51(86)48(83)46(81)39(98-61)27-93-31(3)74)55(99-43(78)17-12-32-10-13-33(92-9)14-11-32)30(2)96-63(57)104-65(91)71-21-20-70(28-73)34(35(71)22-66(4,5)24-42(71)77)15-16-40-67(6)23-36(75)58(69(8,64(89)90)41(67)18-19-68(40,70)7)103-62-52(87)47(82)45(80)38(25-72)97-62/h10-15,17,29-30,35-42,44-63,72-73,75-77,79-88H,16,18-28H2,1-9H3,(H,89,90)/b17-12-/t29-,30+,35-,36-,37+,38+,39+,40+,41+,42+,44-,45+,46+,47-,48-,49-,50+,51+,52+,53+,54-,55-,56-,57+,58-,59-,60-,61-,62-,63-,67+,68+,69-,70-,71-/m0/s1
Standard InChI (Main Layer) InChI=1S/C71H104O33/c1-29-54(100-59-50(85)44(79)37(76)26-94-59)49(84)53(88)60(95-29)102-57-56(101-61-51(86)48(83)46(81)39(98-61)27-93-31(3)74)55(99-43(78)17-12-32-10-13-33(92-9)14-11-32)30(2)96-63(57)104-65(91)71-21-20-70(28-73)34(35(71)22-66(4,5)24-42(71)77)15-16-40-67(6)23-36(75)58(69(8,64(89)90)41(67)18-19-68(40,70)7)103-62-52(87)47(82)45(80)38(25-72)97-62/h10-15,17,29-30,35-42,44-63,72-73,75-77,79-88H,16,18-28H2,1-9H3,(H,89,90)

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
rosids 1

Family

family name count
Polygalaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Atroxima congolana 174494 Polygalaceae rosids Viridiplantae