Metabolite

KNApSAcK Entry

id C00039968
Name Pescaprein XVII / (-)-Pescaprein XVII
CAS RN 1100362-86-4
Standard InChI InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(95-71-64(91-51(75)40-39-47-33-28-26-29-34-47)57(81)59(44(7)87-71)93-67(83)41(4)12-3)46(9)88-72(66)94-60-45(8)86-69-58(82)62(60)90-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-70-63(96-69)55(79)53(77)43(6)85-70/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41-,42-,43+,44-,45-,46-,48-,52-,53-,54+,55-,56+,57+,58?,59-,60-,61-,62-,63+,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1
Standard InChI (Main Layer) InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(95-71-64(91-51(75)40-39-47-33-28-26-29-34-47)57(81)59(44(7)87-71)93-67(83)41(4)12-3)46(9)88-72(66)94-60-45(8)86-69-58(82)62(60)90-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-70-63(96-69)55(79)53(77)43(6)85-70/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 87

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1773738

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Convolvulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ipomoea pes-caprae 89656 Convolvulaceae asterids Viridiplantae