PCIDB

KNApSAcK Metabolite C00038871

Metabolite

KNApSAcK Entry

id C00038871
Name Crypthophilic acid C / (-)-Crypthophilic acid C
CAS RN 924886-64-6
Standard InChI InChI=1S/C47H82O24/c1-7-9-17-27(18-15-13-11-10-12-14-16-26(50)19-30(51)52)66-46-41(34(56)32(54)29(68-46)21-62-44-37(59)35(57)39(23(4)63-44)65-25(6)49)71-47-42(33(55)31(53)28(20-48)67-47)70-45-38(60)36(58)40(24(5)64-45)69-43(61)22(3)8-2/h22-24,26-29,31-42,44-48,50,53-60H,7-21H2,1-6H3,(H,51,52)/t22?,23-,24-,26+,27-,28+,29+,31+,32+,33-,34-,35-,36-,37+,38+,39-,40-,41+,42+,44+,45-,46+,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H82O24/c1-7-9-17-27(18-15-13-11-10-12-14-16-26(50)19-30(51)52)66-46-41(34(56)32(54)29(68-46)21-62-44-37(59)35(57)39(23(4)63-44)65-25(6)49)71-47-42(33(55)31(53)28(20-48)67-47)70-45-38(60)36(58)40(24(5)64-45)69-43(61)22(3)8-2/h22-24,26-29,31-42,44-48,50,53-60H,7-21H2,1-6H3,(H,51,52)

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