PCIDB

KNApSAcK Metabolite C00023004

Metabolite

KNApSAcK Entry

id C00023004
Name (3S,3'R)-Adonixanthin 3-beta-D-glucoside / (3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one
CAS RN 174024-82-9
Standard InChI InChI=1S/C46H64O8/c1-29(17-13-19-31(3)21-23-36-33(5)25-35(48)26-45(36,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)40(49)38(27-46(37,9)10)53-44-43(52)42(51)41(50)39(28-47)54-44/h11-24,35,38-39,41-44,47-48,50-52H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,38+,39?,41-,42+,43?,44-/m1/s1
Standard InChI (Main Layer) InChI=1S/C46H64O8/c1-29(17-13-19-31(3)21-23-36-33(5)25-35(48)26-45(36,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)40(49)38(27-46(37,9)10)53-44-43(52)42(51)41(50)39(28-47)54-44/h11-24,35,38-39,41-44,47-48,50-52H,25-28H2,1-10H3

Cluster

Phytochemical cluster
KCF-S cluster No. 394

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Rhizobiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Agrobacterium aurantiacum 44155 Rhizobiaceae Bacteria