PCIDB

KNApSAcK Metabolite C00042567

Metabolite

KNApSAcK Entry

id C00042567
Name Grandibracteoside B
CAS RN 860021-38-1
Standard InChI InChI=1S/C79H122N2O37/c1-29-47(87)55(95)63(116-69-59(99)49(89)37(85)26-105-69)71(108-29)107-28-39-51(91)53(93)46(81-31(3)83)66(111-39)114-44-18-19-76(8)41(75(44,6)7)17-20-77(9)42(76)16-15-33-34-21-74(4,5)45(113-65(102)32-13-11-12-14-35(32)80)23-79(34,43(86)22-78(33,77)10)73(103)118-72-64(56(96)52(92)40(112-72)27-106-67-60(100)54(94)50(90)38(24-82)110-67)117-70-61(101)57(97)62(30(2)109-70)115-68-58(98)48(88)36(84)25-104-68/h11-15,29-30,34,36-64,66-72,82,84-101H,16-28,80H2,1-10H3,(H,81,83)/t29-,30+,34+,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-/m1/s1
Standard InChI (Main Layer) InChI=1S/C79H122N2O37/c1-29-47(87)55(95)63(116-69-59(99)49(89)37(85)26-105-69)71(108-29)107-28-39-51(91)53(93)46(81-31(3)83)66(111-39)114-44-18-19-76(8)41(75(44,6)7)17-20-77(9)42(76)16-15-33-34-21-74(4,5)45(113-65(102)32-13-11-12-14-35(32)80)23-79(34,43(86)22-78(33,77)10)73(103)118-72-64(56(96)52(92)40(112-72)27-106-67-60(100)54(94)50(90)38(24-82)110-67)117-70-61(101)57(97)62(30(2)109-70)115-68-58(98)48(88)36(84)25-104-68/h11-15,29-30,34,36-64,66-72,82,84-101H,16-28,80H2,1-10H3,(H,81,83)

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL506947
By standard InChI Main Layer CHEMBL506947

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
Albizia grandibracteata 289395 Fabaceae rosids Viridiplantae