PCIDB

KNApSAcK Metabolite C00000946

Metabolite

KNApSAcK Entry

id C00000946
Name Butrin
CAS RN 492-13-7
Standard InChI InChI=1S/C27H32O15/c28-8-18-20(32)22(34)24(36)26(41-18)38-11-2-3-12-14(31)7-15(39-16(12)6-11)10-1-4-13(30)17(5-10)40-27-25(37)23(35)21(33)19(9-29)42-27/h1-6,15,18-30,32-37H,7-9H2/t15-,18?,19?,20+,21+,22-,23-,24?,25?,26+,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H32O15/c28-8-18-20(32)22(34)24(36)26(41-18)38-11-2-3-12-14(31)7-15(39-16(12)6-11)10-1-4-13(30)17(5-10)40-27-25(37)23(35)21(33)19(9-29)42-27/h1-6,15,18-30,32-37H,7-9H2

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C09616

CTD

By CAS RN C049386