PCIDB

KNApSAcK Metabolite C00040027

Metabolite

KNApSAcK Entry

id C00040027
Name Pithelucoside B / (-)-Pithelucoside B
CAS RN 1001598-53-3
Standard InChI InChI=1S/C80H128O39/c1-12-76(8,104)19-13-14-33(25-81)65(102)113-45-24-80(73(103)119-72-64(55(96)49(90)38(27-83)111-72)118-70-60(101)62(116-69-59(100)52(93)48(89)37(26-82)109-69)61(32(3)108-70)115-68-57(98)50(91)39(28-84)110-68)35(22-74(45,4)5)34-15-16-42-77(9)20-18-44(75(6,7)41(77)17-21-78(42,10)79(34,11)23-43(80)86)114-67-58(99)53(94)51(92)40(112-67)30-106-71-63(54(95)46(87)31(2)107-71)117-66-56(97)47(88)36(85)29-105-66/h12,14-15,31-32,35-64,66-72,81-101,104H,1,13,16-30H2,2-11H3/b33-14+/t31-,32+,35+,36-,37-,38-,39+,40-,41+,42-,43-,44+,45+,46+,47+,48-,49-,50+,51-,52+,53+,54+,55+,56-,57-,58-,59-,60-,61+,62+,63-,64-,66+,67+,68+,69+,70+,71-,72+,76-,77+,78-,79-,80-/m1/s1
Standard InChI (Main Layer) InChI=1S/C80H128O39/c1-12-76(8,104)19-13-14-33(25-81)65(102)113-45-24-80(73(103)119-72-64(55(96)49(90)38(27-83)111-72)118-70-60(101)62(116-69-59(100)52(93)48(89)37(26-82)109-69)61(32(3)108-70)115-68-57(98)50(91)39(28-84)110-68)35(22-74(45,4)5)34-15-16-42-77(9)20-18-44(75(6,7)41(77)17-21-78(42,10)79(34,11)23-43(80)86)114-67-58(99)53(94)51(92)40(112-67)30-106-71-63(54(95)46(87)31(2)107-71)117-66-56(97)47(88)36(85)29-105-66/h12,14-15,31-32,35-64,66-72,81-101,104H,1,13,16-30H2,2-11H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 49

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL437400

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Pithecellobium lucidum 58875 Fabaceae rosids Viridiplantae