PCIDB

KNApSAcK Metabolite C00033914

Metabolite

KNApSAcK Entry

id C00033914
Name Kadsuphilol / Heteroclitin I / (-)-Heteroclitin I
CAS RN 936620-27-8
Standard InChI InChI=1S/C34H36O11/c1-7-17(2)31(36)44-25-18(3)33(4,38)30(45-32(37)19-11-9-8-10-12-19)21-14-22(39-5)27(40-6)29(35)34(21)15-41-28-24(34)20(25)13-23-26(28)43-16-42-23/h7-13,18,21,25,30,38H,14-16H2,1-6H3/b17-7-/t18-,21?,25+,30-,33-,34-/m0/s1
Standard InChI (Main Layer) InChI=1S/C34H36O11/c1-7-17(2)31(36)44-25-18(3)33(4,38)30(45-32(37)19-11-9-8-10-12-19)21-14-22(39-5)27(40-6)29(35)34(21)15-41-28-24(34)20(25)13-23-26(28)43-16-42-23/h7-13,18,21,25,30,38H,14-16H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2760

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN