PCIDB

KNApSAcK Metabolite C00023095

Metabolite

KNApSAcK Entry

id C00023095
Name Bisanhydrobacterioruberin / (2S,2'S)-3,3',4,4'-Tetradehydro-1,1',2,2'-tetrahydro-1,1'-dihydroxy-2,2'-bis(3-methyl-2-butenyl)-psi,psi-carotene
CAS RN 30403-59-9
Standard InChI InChI=1S/C50H72O2/c1-39(2)31-35-47(49(11,12)51)37-33-45(9)29-19-27-43(7)25-17-23-41(5)21-15-16-22-42(6)24-18-26-44(8)28-20-30-46(10)34-38-48(50(13,14)52)36-32-40(3)4/h15-34,37-38,47-48,51-52H,35-36H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,38-34+,41-21+,42-22+,43-25+,44-26+,45-29+,46-30+/t47-,48-/m0/s1
Standard InChI (Main Layer) InChI=1S/C50H72O2/c1-39(2)31-35-47(49(11,12)51)37-33-45(9)29-19-27-43(7)25-17-23-41(5)21-15-16-22-42(6)24-18-26-44(8)28-20-30-46(10)34-38-48(50(13,14)52)36-32-40(3)4/h15-34,37-38,47-48,51-52H,35-36H2,1-14H3

Cluster

Phytochemical cluster
KCF-S cluster No. 988

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
Corynebacteriaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Corynebacterium poinsettiae 1716 Corynebacteriaceae Bacteria