PCIDB

KNApSAcK Metabolite C00043691

Metabolite

KNApSAcK Entry

id C00043691
Name Madhucoside A
CAS RN 683205-82-5
Standard InChI InChI=1S/C68H110O35/c1-26-36(77)40(81)43(84)53(94-26)97-44-33(76)20-91-55(48(44)101-59-51(86)68(89,23-72)25-93-59)98-46-41(82)37(78)27(2)95-56(46)99-45-38(79)32(75)19-90-54(45)103-60(87)66-13-11-61(3,4)15-29(66)28-9-10-35-62(5)16-31(74)52(63(6,21-70)49(62)30(73)17-65(35,8)64(28,7)12-14-66)102-57-47(42(83)39(80)34(18-69)96-57)100-58-50(85)67(88,22-71)24-92-58/h9,26-27,29-59,69-86,88-89H,10-25H2,1-8H3/t26-,27-,29-,30+,31-,32-,33+,34+,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-,62+,63-,64+,65+,66-,67+,68+/m0/s1
Standard InChI (Main Layer) InChI=1S/C68H110O35/c1-26-36(77)40(81)43(84)53(94-26)97-44-33(76)20-91-55(48(44)101-59-51(86)68(89,23-72)25-93-59)98-46-41(82)37(78)27(2)95-56(46)99-45-38(79)32(75)19-90-54(45)103-60(87)66-13-11-61(3,4)15-29(66)28-9-10-35-62(5)16-31(74)52(63(6,21-70)49(62)30(73)17-65(35,8)64(28,7)12-14-66)102-57-47(42(83)39(80)34(18-69)96-57)100-58-50(85)67(88,22-71)24-92-58/h9,26-27,29-59,69-86,88-89H,10-25H2,1-8H3

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
Sapotaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Madhuca indica 571269 Sapotaceae asterids Viridiplantae