PCIDB

KNApSAcK Metabolite C00005647

Metabolite

KNApSAcK Entry

id C00005647
Name Patuletin-3-rutinoside / Patuletin 3-O-rutinoside
CAS RN 19833-26-2
Standard InChI InChI=1S/C28H32O17/c1-8-16(32)20(36)22(38)27(42-8)41-7-14-17(33)21(37)23(39)28(44-14)45-26-19(35)15-13(6-12(31)25(40-2)18(15)34)43-24(26)9-3-4-10(29)11(30)5-9/h3-6,8,14,16-17,20-23,27-34,36-39H,7H2,1-2H3/t8?,14?,16-,17+,20-,21?,22?,23?,27+,28-/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H32O17/c1-8-16(32)20(36)22(38)27(42-8)41-7-14-17(33)21(37)23(39)28(44-14)45-26-19(35)15-13(6-12(31)25(40-2)18(15)34)43-24(26)9-3-4-10(29)11(30)5-9/h3-6,8,14,16-17,20-23,27-34,36-39H,7H2,1-2H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL442920 CHEMBL2037043

KEGG

By LinkDB

CTD

By CAS RN