PCIDB

KNApSAcK Metabolite C00023938

Metabolite

KNApSAcK Entry

id C00023938
Name Neogrifolin / E,E,5-Methyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol
CAS RN 23665-96-5
Standard InChI InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
Standard InChI (Main Layer) InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 872

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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