PCIDB

KNApSAcK Metabolite C00009268

Metabolite

KNApSAcK Entry

id C00009268
Name Arachnitannin 1
CAS RN 135329-58-7
Standard InChI InChI=1S/C47H36O16/c48-21-7-1-18(2-8-21)42-40(56)25-15-32(55)59-29-16-27(53)35(44(60-42)33(25)29)38-36-28(54)17-31-37(45(36)61-43(41(38)57)19-3-9-22(49)10-4-19)39-34-26(52)13-24(51)14-30(34)62-47(63-31,46(39)58)20-5-11-23(50)12-6-20/h1-14,16-17,25,38-43,46,48-54,56-58H,15H2/t25-,38-,39+,40+,41+,42+,43+,46+,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H36O16/c48-21-7-1-18(2-8-21)42-40(56)25-15-32(55)59-29-16-27(53)35(44(60-42)33(25)29)38-36-28(54)17-31-37(45(36)61-43(41(38)57)19-3-9-22(49)10-4-19)39-34-26(52)13-24(51)14-30(34)62-47(63-31,46(39)58)20-5-11-23(50)12-6-20/h1-14,16-17,25,38-43,46,48-54,56-58H,15H2

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN