PCIDB

KNApSAcK Metabolite C00040903

Metabolite

KNApSAcK Entry

id C00040903
Name Brevifoliol
CAS RN 134955-83-2
Standard InChI InChI=1S/C31H40O9/c1-16-21-14-31(29(5,6)37)15-23(35)17(2)25(31)26(40-28(36)20-11-9-8-10-12-20)27(39-19(4)33)30(21,7)24(13-22(16)34)38-18(3)32/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3/t21-,22+,23+,24+,26-,27+,30+,31+/m1/s1
Standard InChI (Main Layer) InChI=1S/C31H40O9/c1-16-21-14-31(29(5,6)37)15-23(35)17(2)25(31)26(40-28(36)20-11-9-8-10-12-20)27(39-19(4)33)30(21,7)24(13-22(16)34)38-18(3)32/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 137

Link

ChEMBL

By standard InChI CHEMBL470498
By standard InChI Main Layer CHEMBL470498

KEGG

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CTD

By CAS RN