PCIDB

KNApSAcK Metabolite C00031951

Metabolite

KNApSAcK Entry

id C00031951
Name Kadsuric acid
CAS RN 62393-88-8
Standard InChI InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,14,20,22-23,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-/t20-,22+,23-,25-,28+,29-,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,14,20,22-23,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)

Cluster

Phytochemical cluster
KCF-S cluster No. 2324

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1976802

KEGG

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CTD

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