PCIDB

KNApSAcK Metabolite C00006042

Metabolite

KNApSAcK Entry

id C00006042
Name Desmanthin 1
CAS RN 56939-52-7
Standard InChI InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8?,19-,23?,26-,28-/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 98

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL504487 CHEMBL444120 CHEMBL2152656

KEGG

By LinkDB

CTD

By CAS RN