PCIDB

KNApSAcK Metabolite C00036957

Metabolite

KNApSAcK Entry

id C00036957
Name Cryptostigmin I
CAS RN 382594-35-6
Standard InChI InChI=1S/C44H68O17/c1-20-39(60-34-16-29(53-6)40(21(2)56-34)61-41-38(51)37(50)36(49)31(18-45)59-41)28(47)15-33(55-20)58-25-9-11-42(4)24(14-25)7-8-27-26(42)10-12-43(5)35(23-13-32(48)54-19-23)30(57-22(3)46)17-44(27,43)52/h13,20-21,24-31,33-41,45,47,49-52H,7-12,14-19H2,1-6H3/t20-,21-,24-,25+,26+,27-,28+,29+,30+,31-,33+,34+,35+,36-,37+,38-,39?,40-,41+,42+,43-,44+/m1/s1
Standard InChI (Main Layer) InChI=1S/C44H68O17/c1-20-39(60-34-16-29(53-6)40(21(2)56-34)61-41-38(51)37(50)36(49)31(18-45)59-41)28(47)15-33(55-20)58-25-9-11-42(4)24(14-25)7-8-27-26(42)10-12-43(5)35(23-13-32(48)54-19-23)30(57-22(3)46)17-44(27,43)52/h13,20-21,24-31,33-41,45,47,49-52H,7-12,14-19H2,1-6H3

Cluster

Phytochemical cluster No. 56
KCF-S cluster No. 272

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
Apocynaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cryptostegia grandiflora 63468 Apocynaceae asterids Viridiplantae