PCIDB

KNApSAcK Metabolite C00023040

Metabolite

KNApSAcK Entry

id C00023040
Name beta-Cryptoeutreptiellanone / (3S,3'S,5R,6S)-7',8'-Didehydro-3,6-epoxy-5,6-dihydro-3'-hydroxy-beta,beta-caroten-4-one
CAS RN 101508-17-2
Standard InChI InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-22-35-32(5)25-34(41)26-38(35,7)8)15-11-12-16-29(2)18-14-20-31(4)23-24-40-33(6)37(42)36(43-40)27-39(40,9)10/h11-20,23-24,33-34,36,41H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,28-15+,29-16+,30-19+,31-20+/t33-,34+,36-,40-/m0/s1
Standard InChI (Main Layer) InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-22-35-32(5)25-34(41)26-38(35,7)8)15-11-12-16-29(2)18-14-20-31(4)23-24-40-33(6)37(42)36(43-40)27-39(40,9)10/h11-20,23-24,33-34,36,41H,25-27H2,1-10H3

Cluster

Phytochemical cluster No. 59
KCF-S cluster No. 1206

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

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Eutreptiella gymnastica 73025 Eukaryota