PCIDB

KNApSAcK Metabolite C00005359

Metabolite

KNApSAcK Entry

id C00005359
Name Sexangularetin 3-rutinoside
CAS RN 64803-70-9
Standard InChI InChI=1S/C28H32O16/c1-9-16(32)19(35)21(37)27(41-9)40-8-14-17(33)20(36)22(38)28(42-14)44-26-18(34)15-12(30)7-13(31)24(39-2)25(15)43-23(26)10-3-5-11(29)6-4-10/h3-7,9,14,16-17,19-22,27-33,35-38H,8H2,1-2H3/t9?,14?,16-,17+,19-,20?,21?,22?,27+,28-/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H32O16/c1-9-16(32)19(35)21(37)27(41-9)40-8-14-17(33)20(36)22(38)28(42-14)44-26-18(34)15-12(30)7-13(31)24(39-2)25(15)43-23(26)10-3-5-11(29)6-4-10/h3-7,9,14,16-17,19-22,27-33,35-38H,8H2,1-2H3

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