PCIDB

KNApSAcK Metabolite C00038870

Metabolite

KNApSAcK Entry

id C00038870
Name Crypthophilic acid B / (-)-Crypthophilic acid B
CAS RN 924886-63-5
Standard InChI InChI=1S/C45H80O23/c1-6-8-16-25(17-14-12-10-9-11-13-15-24(47)18-28(48)49)63-44-39(34(55)31(52)27(65-44)20-60-42-36(57)32(53)29(50)22(4)61-42)68-45-40(33(54)30(51)26(19-46)64-45)67-43-37(58)35(56)38(23(5)62-43)66-41(59)21(3)7-2/h21-27,29-40,42-47,50-58H,6-20H2,1-5H3,(H,48,49)/t21?,22-,23-,24+,25-,26+,27+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,42+,43-,44+,45-/m0/s1
Standard InChI (Main Layer) InChI=1S/C45H80O23/c1-6-8-16-25(17-14-12-10-9-11-13-15-24(47)18-28(48)49)63-44-39(34(55)31(52)27(65-44)20-60-42-36(57)32(53)29(50)22(4)61-42)68-45-40(33(54)30(51)26(19-46)64-45)67-43-37(58)35(56)38(23(5)62-43)66-41(59)21(3)7-2/h21-27,29-40,42-47,50-58H,6-20H2,1-5H3,(H,48,49)

Cluster

Phytochemical cluster
KCF-S cluster No. 847

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
Scrophulariaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Scrophularia crypthophila 39249 Scrophulariaceae asterids Viridiplantae