PCIDB

KNApSAcK Metabolite C00009270

Metabolite

KNApSAcK Entry

id C00009270
Name Arachnitannin 3
CAS RN 135329-57-6
Standard InChI InChI=1S/C47H36O17/c48-20-6-1-17(2-7-20)42-41(58)38(35-27(54)15-29-33-23(14-32(56)60-29)40(57)43(62-44(33)35)18-3-10-24(51)25(52)11-18)36-28(55)16-31-37(45(36)61-42)39-34-26(53)12-22(50)13-30(34)63-47(64-31,46(39)59)19-4-8-21(49)9-5-19/h1-13,15-16,23,38-43,46,48-55,57-59H,14H2/t23-,38-,39+,40+,41+,42+,43+,46+,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H36O17/c48-20-6-1-17(2-7-20)42-41(58)38(35-27(54)15-29-33-23(14-32(56)60-29)40(57)43(62-44(33)35)18-3-10-24(51)25(52)11-18)36-28(55)16-31-37(45(36)61-42)39-34-26(53)12-22(50)13-30(34)63-47(64-31,46(39)59)19-4-8-21(49)9-5-19/h1-13,15-16,23,38-43,46,48-55,57-59H,14H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 29

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN