PCIDB

KNApSAcK Metabolite C00043692

Metabolite

KNApSAcK Entry

id C00043692
Name Madhucoside B / (-)-Madhucoside B
CAS RN 683205-83-6
Standard InChI InChI=1S/C69H112O36/c1-25-36(78)41(83)45(87)56(95-25)99-47-34(19-71)98-59(51(46(47)88)100-55-44(86)38(80)31(76)20-92-55)102-49-42(84)37(79)26(2)96-58(49)101-48-39(81)32(77)21-93-57(48)105-62(90)68-13-11-63(3,4)15-28(68)27-9-10-35-64(5)16-30(75)54(65(6,22-72)52(64)29(74)17-67(35,8)66(27,7)12-14-68)104-60-50(43(85)40(82)33(18-70)97-60)103-61-53(89)69(91,23-73)24-94-61/h9,25-26,28-61,70-89,91H,10-24H2,1-8H3/t25-,26-,28-,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+,60-,61-,64+,65-,66+,67+,68-,69+/m0/s1
Standard InChI (Main Layer) InChI=1S/C69H112O36/c1-25-36(78)41(83)45(87)56(95-25)99-47-34(19-71)98-59(51(46(47)88)100-55-44(86)38(80)31(76)20-92-55)102-49-42(84)37(79)26(2)96-58(49)101-48-39(81)32(77)21-93-57(48)105-62(90)68-13-11-63(3,4)15-28(68)27-9-10-35-64(5)16-30(75)54(65(6,22-72)52(64)29(74)17-67(35,8)66(27,7)12-14-68)104-60-50(43(85)40(82)33(18-70)97-60)103-61-53(89)69(91,23-73)24-94-61/h9,25-26,28-61,70-89,91H,10-24H2,1-8H3

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