PCIDB

KNApSAcK Metabolite C00000995

Metabolite

KNApSAcK Entry

id C00000995
Name Poncirin / Isosakuranetin-7-O-beta-D-neohesperidoside
CAS RN 14941-08-3
Standard InChI InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11?,17-,19?,21-,22+,23-,24-,25?,26?,27-,28+/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL451050

KEGG

By LinkDB C09830

CTD

By CAS RN