PCIDB

KNApSAcK Metabolite C00000993

Metabolite

KNApSAcK Entry

id C00000993
Name Pinocembrin 7-rhamnosylglucoside / Pinocembrin 7-O-neohesperidoside
CAS RN 13241-31-1
Standard InChI InChI=1S/C27H32O13/c1-11-20(31)22(33)24(35)26(36-11)40-25-23(34)21(32)18(10-28)39-27(25)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-8,11,16,18,20-29,31-35H,9-10H2,1H3/t11?,16-,18?,20-,21+,22-,23-,24?,25?,26-,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H32O13/c1-11-20(31)22(33)24(35)26(36-11)40-25-23(34)21(32)18(10-28)39-27(25)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-8,11,16,18,20-29,31-35H,9-10H2,1H3

Cluster

Phytochemical cluster No. 14
KCF-S cluster No. 48

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C09828

CTD

By CAS RN