PCIDB

KNApSAcK Metabolite C00046462

Metabolite

KNApSAcK Entry

id C00046462
Name Tieghemelin / (-)-Tieghemelin
CAS RN 479072-94-1
Standard InChI InChI=1S/C58H92O29/c1-20-30(65)32(67)36(71)48(80-20)83-41-27(63)18-78-47(39(41)74)82-40-21(2)81-49(38(73)35(40)70)85-43-31(66)26(62)17-79-51(43)87-52(77)58-12-11-53(3,4)13-23(58)22-9-10-28-54(5)14-25(61)45(86-50-37(72)33(68)34(69)42(84-50)46(75)76)55(6,19-59)44(54)24(60)15-57(28,8)56(22,7)16-29(58)64/h9,20-21,23-45,47-51,59-74H,10-19H2,1-8H3,(H,75,76)/t20-,21-,23-,24+,25-,26-,27+,28+,29+,30-,31-,32+,33-,34?,35-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45-,47-,48-,49-,50-,51-,54+,55-,56+,57+,58+/m0/s1
Standard InChI (Main Layer) InChI=1S/C58H92O29/c1-20-30(65)32(67)36(71)48(80-20)83-41-27(63)18-78-47(39(41)74)82-40-21(2)81-49(38(73)35(40)70)85-43-31(66)26(62)17-79-51(43)87-52(77)58-12-11-53(3,4)13-23(58)22-9-10-28-54(5)14-25(61)45(86-50-37(72)33(68)34(69)42(84-50)46(75)76)55(6,19-59)44(54)24(60)15-57(28,8)56(22,7)16-29(58)64/h9,20-21,23-45,47-51,59-74H,10-19H2,1-8H3,(H,75,76)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL499682

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
Tieghemella heckelii 233760 Sapotaceae asterids Viridiplantae