PCIDB

KNApSAcK Metabolite C00038662

Metabolite

KNApSAcK Entry

id C00038662
Name Bullatacin / (+)-Bullatacin
CAS RN 123123-32-0
Standard InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34+,35+,36+/m0/s1
Standard InChI (Main Layer) InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3

Cluster

Phytochemical cluster No. 70
KCF-S cluster No. 6

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL13710 CHEMBL61332 CHEMBL68179 CHEMBL142918 CHEMBL453675 CHEMBL503360 CHEMBL453496 CHEMBL454744 CHEMBL501110 CHEMBL451402 CHEMBL506914 CHEMBL446085 CHEMBL509939 CHEMBL508255 CHEMBL499188 CHEMBL1996175 CHEMBL1999460 CHEMBL2007355

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