PCIDB

KNApSAcK Metabolite C00010760

Metabolite

KNApSAcK Entry

id C00010760
Name Methylisohaenkeanoside
CAS RN 119864-05-0
Standard InChI InChI=1S/C27H34O13/c1-13-21-16(10-20(34-2)38-13)17(25(33)35-3)11-37-26(21)40-27-24(32)23(31)22(30)18(39-27)12-36-19(29)9-6-14-4-7-15(28)8-5-14/h4-9,11,13,16,18,20-24,26-28,30-32H,10,12H2,1-3H3/b9-6-/t13-,16+,18?,20?,21+,22+,23?,24-,26-,27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H34O13/c1-13-21-16(10-20(34-2)38-13)17(25(33)35-3)11-37-26(21)40-27-24(32)23(31)22(30)18(39-27)12-36-19(29)9-6-14-4-7-15(28)8-5-14/h4-9,11,13,16,18,20-24,26-28,30-32H,10,12H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 374

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
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Isertia haenkeana 378937 Rubiaceae asterids Viridiplantae