PCIDB

KNApSAcK Metabolite C00009296

Metabolite

KNApSAcK Entry

id C00009296
Name Arachnitannin 2
CAS RN 135308-93-9
Standard InChI InChI=1S/C47H36O19/c48-18-10-26(55)34-30(11-18)65-47(17-3-6-22(51)25(54)9-17)46(61)39(34)37-31(66-47)14-28(57)36-38(41(60)43(64-45(36)37)16-2-5-21(50)24(53)8-16)35-27(56)13-29-33-19(12-32(58)62-29)40(59)42(63-44(33)35)15-1-4-20(49)23(52)7-15/h1-11,13-14,19,38-43,46,48-57,59-61H,12H2/t19-,38-,39+,40+,41+,42+,43+,46+,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H36O19/c48-18-10-26(55)34-30(11-18)65-47(17-3-6-22(51)25(54)9-17)46(61)39(34)37-31(66-47)14-28(57)36-38(41(60)43(64-45(36)37)16-2-5-21(50)24(53)8-16)35-27(56)13-29-33-19(12-32(58)62-29)40(59)42(63-44(33)35)15-1-4-20(49)23(52)7-15/h1-11,13-14,19,38-43,46,48-57,59-61H,12H2

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