PCIDB

KNApSAcK Metabolite C00022965

Metabolite

KNApSAcK Entry

id C00022965
Name P 457 / (3S,3'S,5R,5'R,6S,6'R,13-cis)-6',7'-Didehydro-5,6-epoxy-3-[(4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]-5,5',6,6,',7,8-hexahydro-3',5'-dihydroxy-beta,beta-caroten-20-al
CAS RN 55068-71-8
Standard InChI InChI=1S/C52H76O15/c1-31(15-12-16-32(2)20-21-39-48(4,5)24-35(56)25-50(39,8)62)14-10-11-18-34(28-53)19-13-17-33(3)22-23-52-49(6,7)26-36(27-51(52,9)67-52)63-46-44(61)42(59)45(38(30-55)65-46)66-47-43(60)41(58)40(57)37(29-54)64-47/h10-20,28,35-38,40-47,54-62H,22-27,29-30H2,1-9H3/b11-10+,15-12+,19-13+,31-14+,32-16+,33-17+,34-18+/t21-,35-,36-,37?,38?,40-,41-,42+,43?,44?,45+,46+,47-,50+,51+,52-/m0/s1
Standard InChI (Main Layer) InChI=1S/C52H76O15/c1-31(15-12-16-32(2)20-21-39-48(4,5)24-35(56)25-50(39,8)62)14-10-11-18-34(28-53)19-13-17-33(3)22-23-52-49(6,7)26-36(27-51(52,9)67-52)63-46-44(61)42(59)45(38(30-55)65-46)66-47-43(60)41(58)40(57)37(29-54)64-47/h10-20,28,35-38,40-47,54-62H,22-27,29-30H2,1-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 7902

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
Gymnodiniaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Amphidinium carterae 2961 Gymnodiniaceae Eukaryota