PCIDB

KNApSAcK Metabolite C00037559

Metabolite

KNApSAcK Entry

id C00037559
Name Nodosin
CAS RN 155545-07-6
Standard InChI InChI=1S/C27H30O15/c1-8-18(32)22(36)24(38)27(40-8)42-26-23(37)20(34)15(6-28)41-25(26)16-13(31)5-14-17(21(16)35)19(33)11(7-39-14)10-3-2-9(29)4-12(10)30/h2-5,7-8,15,18,20,22-32,34-38H,6H2,1H3/t8-,15+,18-,20+,22+,23-,24+,25-,26+,27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H30O15/c1-8-18(32)22(36)24(38)27(40-8)42-26-23(37)20(34)15(6-28)41-25(26)16-13(31)5-14-17(21(16)35)19(33)11(7-39-14)10-3-2-9(29)4-12(10)30/h2-5,7-8,15,18,20,22-32,34-38H,6H2,1H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN