PCIDB

KNApSAcK Metabolite C00040620

Metabolite

KNApSAcK Entry

id C00040620
Name Valtrate hydrine B8
CAS RN 98260-48-1
Standard InChI InChI=1S/C29H42O12/c1-16(2)9-23(32)38-15-29(35)22(39-24(33)10-17(3)4)11-21-20(13-36-18(5)30)14-37-27(26(21)29)40-25(34)12-28(7,8)41-19(6)31/h11,14,16-17,22,26-27,35H,9-10,12-13,15H2,1-8H3
Standard InChI (Main Layer) InChI=1S/C29H42O12/c1-16(2)9-23(32)38-15-29(35)22(39-24(33)10-17(3)4)11-21-20(13-36-18(5)30)14-37-27(26(21)29)40-25(34)12-28(7,8)41-19(6)31/h11,14,16-17,22,26-27,35H,9-10,12-13,15H2,1-8H3

Cluster

Phytochemical cluster No. 36
KCF-S cluster No. 433

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN