PCIDB

KNApSAcK Metabolite C00039966

Metabolite

KNApSAcK Entry

id C00039966
Name Pescaprein XV / (-)-Pescaprein XV
CAS RN 1100362-81-9
Standard InChI InChI=1S/C71H114O25/c1-10-12-14-15-16-17-20-23-31-37-49(73)91-65-64(96-67-55(79)53(77)51(75)41(5)83-67)60(94-70-63(90-50(74)39-38-46-32-27-25-28-33-46)56(80)58(43(7)86-70)92-66(82)40(3)4)45(9)87-71(65)93-59-44(8)85-68-57(81)61(59)89-48(72)36-30-24-21-18-19-22-29-35-47(34-26-13-11-2)88-69-62(95-68)54(78)52(76)42(6)84-69/h25,27-28,32-33,38-45,47,51-65,67-71,75-81H,10-24,26,29-31,34-37H2,1-9H3/b39-38+/t41-,42+,43-,44-,45-,47-,51-,52-,53+,54-,55+,56+,57?,58-,59-,60-,61-,62+,63+,64+,65+,67-,68-,69-,70-,71-/m0/s1
Standard InChI (Main Layer) InChI=1S/C71H114O25/c1-10-12-14-15-16-17-20-23-31-37-49(73)91-65-64(96-67-55(79)53(77)51(75)41(5)83-67)60(94-70-63(90-50(74)39-38-46-32-27-25-28-33-46)56(80)58(43(7)86-70)92-66(82)40(3)4)45(9)87-71(65)93-59-44(8)85-68-57(81)61(59)89-48(72)36-30-24-21-18-19-22-29-35-47(34-26-13-11-2)88-69-62(95-68)54(78)52(76)42(6)84-69/h25,27-28,32-33,38-45,47,51-65,67-71,75-81H,10-24,26,29-31,34-37H2,1-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 87

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
Convolvulaceae 1

List (1)

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