PCIDB

KNApSAcK Metabolite C00006271

Metabolite

KNApSAcK Entry

id C00006271
Name Isomargaritene
CAS RN 64271-11-0
Standard InChI InChI=1S/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-14(31)8-16-18(22(19)34)13(30)7-15(40-16)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3/t10?,17?,20-,21+,23-,24-,25?,26-,27?,28-/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-14(31)8-16-18(22(19)34)13(30)7-15(40-16)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Rutaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Fortunella japonica 76966 Rutaceae rosids Viridiplantae
Fortunella margarita 85437 Rutaceae rosids Viridiplantae