PCIDB

KNApSAcK Metabolite C00033681

Metabolite

KNApSAcK Entry

id C00033681
Name beta-Sitosterol palmitate
CAS RN 2308-85-2
Standard InChI InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t35-,36?,38+,39+,40-,41+,42+,44+,45-/m1/s1
Standard InChI (Main Layer) InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1152

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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