PCIDB

KNApSAcK Metabolite C00040026

Metabolite

KNApSAcK Entry

id C00040026
Name Pithelucoside A / (-)-Pithelucoside A
CAS RN 1001598-52-2
Standard InChI InChI=1S/C86H138O42/c1-14-82(10,128-76-64(108)56(100)49(93)33(3)115-76)21-15-16-36(27-87)70(110)121-47-26-86(79(111)127-78-69(59(103)52(96)40(28-88)119-78)126-75-65(109)67(124-72-62(106)55(99)48(92)32(2)114-72)66(35(5)117-75)123-74-61(105)53(97)41(29-89)118-74)38(24-80(47,6)7)37-17-18-44-83(11)22-20-46(81(8,9)43(83)19-23-84(44,12)85(37,13)25-45(86)91)122-73-63(107)57(101)54(98)42(120-73)31-113-77-68(58(102)50(94)34(4)116-77)125-71-60(104)51(95)39(90)30-112-71/h14,16-17,32-35,38-69,71-78,87-109H,1,15,18-31H2,2-13H3/b36-16+/t32-,33-,34-,35+,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-,65-,66+,67+,68-,69-,71+,72+,73+,74+,75+,76+,77-,78+,82-,83+,84-,85-,86-/m1/s1
Standard InChI (Main Layer) InChI=1S/C86H138O42/c1-14-82(10,128-76-64(108)56(100)49(93)33(3)115-76)21-15-16-36(27-87)70(110)121-47-26-86(79(111)127-78-69(59(103)52(96)40(28-88)119-78)126-75-65(109)67(124-72-62(106)55(99)48(92)32(2)114-72)66(35(5)117-75)123-74-61(105)53(97)41(29-89)118-74)38(24-80(47,6)7)37-17-18-44-83(11)22-20-46(81(8,9)43(83)19-23-84(44,12)85(37,13)25-45(86)91)122-73-63(107)57(101)54(98)42(120-73)31-113-77-68(58(102)50(94)34(4)116-77)125-71-60(104)51(95)39(90)30-112-71/h14,16-17,32-35,38-69,71-78,87-109H,1,15,18-31H2,2-13H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL401800

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