PCIDB

KNApSAcK Metabolite C00036108

Metabolite

KNApSAcK Entry

id C00036108
Name 2-Deacetoxydecinnamoyltaxinine J / 2-Deacetyl-5-decinnamoyltaxinine J / (+)-2-Deacetoxydecinnamoyltaxinine J / (+)-2-Deacetyl-5-decinnamoyltaxinine J
CAS RN 87193-98-4
Standard InChI InChI=1S/C28H40O9/c1-13-20-10-19-11-22(34-15(3)29)14(2)24(27(19,7)8)25(36-17(5)31)26(37-18(6)32)28(20,9)23(12-21(13)33)35-16(4)30/h19-23,25-26,33H,1,10-12H2,2-9H3/t19-,20-,21+,22+,23+,25?,26+,28+/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H40O9/c1-13-20-10-19-11-22(34-15(3)29)14(2)24(27(19,7)8)25(36-17(5)31)26(37-18(6)32)28(20,9)23(12-21(13)33)35-16(4)30/h19-23,25-26,33H,1,10-12H2,2-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 297

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL76814

KEGG

By LinkDB

CTD

By CAS RN