Metabolite

KNApSAcK Entry

id C00048075
Name Qniumucin
CAS RN 1196512-05-6
Standard InChI InChI=1S/C54H96N12O27P2/c1-22(2)36(48(78)62-30(52(82)83)13-14-34(69)70)64-49(79)37(23(3)4)63-46(76)31-12-11-17-66(31)51(81)25(6)59-45(75)24(5)58-50(80)38(27(8)91-54-40(61-29(10)68)44(74)42(72)33(93-54)21-89-95(86,87)19-16-56)65-47(77)35(57)26(7)90-53-39(60-28(9)67)43(73)41(71)32(92-53)20-88-94(84,85)18-15-55/h22-27,30-33,35-44,53-54,71-74H,11-21,55-57H2,1-10H3,(H,58,80)(H,59,75)(H,60,67)(H,61,68)(H,62,78)(H,63,76)(H,64,79)(H,65,77)(H,69,70)(H,82,83)(H,84,85)(H,86,87)/t24-,25-,26+,27+,30-,31-,32+,33+,35-,36-,37-,38-,39+,40+,41-,42-,43+,44+,53-,54-/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H96N12O27P2/c1-22(2)36(48(78)62-30(52(82)83)13-14-34(69)70)64-49(79)37(23(3)4)63-46(76)31-12-11-17-66(31)51(81)25(6)59-45(75)24(5)58-50(80)38(27(8)91-54-40(61-29(10)68)44(74)42(72)33(93-54)21-89-95(86,87)19-16-56)65-47(77)35(57)26(7)90-53-39(60-28(9)67)43(73)41(71)32(92-53)20-88-94(84,85)18-15-55/h22-27,30-33,35-44,53-54,71-74H,11-21,55-57H2,1-10H3,(H,58,80)(H,59,75)(H,60,67)(H,61,68)(H,62,78)(H,63,76)(H,64,79)(H,65,77)(H,69,70)(H,82,83)(H,84,85)(H,86,87)

Cluster

Phytochemical cluster
KCF-S cluster No. 8765

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
Ulmaridae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aurelia aurita 6145 Ulmaridae Metazoa