PCIDB

KNApSAcK Metabolite C00039964

Metabolite

KNApSAcK Entry

id C00039964
Name Pescaprein XIII / (-)-Pescaprein XIII
CAS RN 1100362-79-5
Standard InChI InChI=1S/C69H110O25/c1-10-12-14-15-17-21-29-35-47(71)89-63-62(94-65-53(77)51(75)49(73)39(5)81-65)58(92-68-61(88-48(72)37-36-44-30-25-23-26-31-44)54(78)56(41(7)84-68)90-64(80)38(3)4)43(9)85-69(63)91-57-42(8)83-66-55(79)59(57)87-46(70)34-28-22-19-16-18-20-27-33-45(32-24-13-11-2)86-67-60(93-66)52(76)50(74)40(6)82-67/h23,25-26,30-31,36-43,45,49-63,65-69,73-79H,10-22,24,27-29,32-35H2,1-9H3/b37-36+/t39-,40+,41-,42-,43-,45-,49-,50-,51+,52-,53+,54+,55?,56-,57-,58-,59-,60+,61+,62+,63+,65-,66-,67-,68-,69-/m0/s1
Standard InChI (Main Layer) InChI=1S/C69H110O25/c1-10-12-14-15-17-21-29-35-47(71)89-63-62(94-65-53(77)51(75)49(73)39(5)81-65)58(92-68-61(88-48(72)37-36-44-30-25-23-26-31-44)54(78)56(41(7)84-68)90-64(80)38(3)4)43(9)85-69(63)91-57-42(8)83-66-55(79)59(57)87-46(70)34-28-22-19-16-18-20-27-33-45(32-24-13-11-2)86-67-60(93-66)52(76)50(74)40(6)82-67/h23,25-26,30-31,36-43,45,49-63,65-69,73-79H,10-22,24,27-29,32-35H2,1-9H3

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