PCIDB

KNApSAcK Metabolite C00001585

Metabolite

KNApSAcK Entry

id C00001585
Name Bougainvillein-r-I
CAS RN 30513-63-4
Standard InChI InChI=1S/C30H36N2O18/c33-8-18-20(36)22(38)24(40)29(48-18)50-25-23(39)21(37)19(9-34)49-30(25)47-17-6-11-5-15(28(45)46)32(14(11)7-16(17)35)2-1-10-3-12(26(41)42)31-13(4-10)27(43)44/h1-3,6-7,13,15,18-25,29-30,33-34,36-40H,4-5,8-9H2,(H4,35,41,42,43,44,45,46)/t13-,15-,18?,19?,20+,21+,22-,23-,24?,25?,29-,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H36N2O18/c33-8-18-20(36)22(38)24(40)29(48-18)50-25-23(39)21(37)19(9-34)49-30(25)47-17-6-11-5-15(28(45)46)32(14(11)7-16(17)35)2-1-10-3-12(26(41)42)31-13(4-10)27(43)44/h1-3,6-7,13,15,18-25,29-30,33-34,36-40H,4-5,8-9H2,(H4,35,41,42,43,44,45,46)

Cluster

Phytochemical cluster No. 71
KCF-S cluster No. 763

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08541

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Nyctaginaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bougainvillea x buttiana Mrs. Butt 3540 Nyctaginaceae eudicotyledons Viridiplantae