PCIDB

KNApSAcK Metabolite C00037271

Metabolite

KNApSAcK Entry

id C00037271
Name Heyneanol A
CAS RN 178330-69-3
Standard InChI InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-18-38(60)23-39(61)19-33)44-22-32(46(65)27-48(44)67-54)3-1-28-2-16-47-43(17-28)52(56(66-47)31-8-14-37(59)15-9-31)45-25-42(64)26-49-53(45)51(34-20-40(62)24-41(63)21-34)55(68-49)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1+/t50-,51-,52-,54+,55+,56-/m0/s1
Standard InChI (Main Layer) InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-18-38(60)23-39(61)19-33)44-22-32(46(65)27-48(44)67-54)3-1-28-2-16-47-43(17-28)52(56(66-47)31-8-14-37(59)15-9-31)45-25-42(64)26-49-53(45)51(34-20-40(62)24-41(63)21-34)55(68-49)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H

Cluster

Phytochemical cluster
KCF-S cluster No. 93

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN