PCIDB

KNApSAcK Metabolite C00031602

Metabolite

KNApSAcK Entry

id C00031602
Name Apetalic acid
CAS RN 18196-05-9
Standard InChI InChI=1S/C22H28O6/c1-6-7-13(10-15(23)24)16-20-14(8-9-22(4,5)28-20)19(26)17-18(25)11(2)12(3)27-21(16)17/h8-9,11-13,26H,6-7,10H2,1-5H3,(H,23,24)/t11-,12+,13+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H28O6/c1-6-7-13(10-15(23)24)16-20-14(8-9-22(4,5)28-20)19(26)17-18(25)11(2)12(3)27-21(16)17/h8-9,11-13,26H,6-7,10H2,1-5H3,(H,23,24)

Cluster

Phytochemical cluster
KCF-S cluster No. 1053

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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