PCIDB

KNApSAcK Metabolite C00001581

Metabolite

KNApSAcK Entry

id C00001581
Name Amaranthin
CAS RN 15167-84-7
Standard InChI InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)/t12-,14-,17?,18+,19-,20-,21-,22?,23?,24?,29-,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)

Cluster

Phytochemical cluster No. 71
KCF-S cluster No. 763

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08537

CTD

By CAS RN C494261