PCIDB

KNApSAcK Metabolite C00029289

Metabolite

KNApSAcK Entry

id C00029289
Name Vaticanol B / (-)-Vaticanol B
CAS RN 287101-83-1
Standard InChI InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-49(45(53(44)54(51)52)26-3-11-31(58)12-4-26)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45-,46-,49-,50-,53+,55+,56+/m1/s1
Standard InChI (Main Layer) InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-49(45(53(44)54(51)52)26-3-11-31(58)12-4-26)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H

Cluster

Phytochemical cluster
KCF-S cluster No. 93

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL524906 CHEMBL1224874

KEGG

By LinkDB

CTD

By CAS RN