PCIDB

KNApSAcK Metabolite C00013796

Metabolite

KNApSAcK Entry

id C00013796
Name Kaempferol 3-neohesperidoside-7-(6''-malonylglucoside)
CAS RN
Standard InChI InChI=1S/C37H44O24/c1-12-23(44)27(48)30(51)35(55-12)61-34-29(50)24(45)18(9-38)58-37(34)60-33-26(47)22-16(40)6-15(7-17(22)57-32(33)13-2-4-14(39)5-3-13)56-36-31(52)28(49)25(46)19(59-36)10-53-11-54-21(43)8-20(41)42/h2-7,12,18-19,23-25,27-31,34-40,44-46,48-52H,8-11H2,1H3,(H,41,42)/t12?,18?,19?,23-,24+,25+,27?,28-,29-,30-,31?,34?,35-,36+,37-/m0/s1
Standard InChI (Main Layer) InChI=1S/C37H44O24/c1-12-23(44)27(48)30(51)35(55-12)61-34-29(50)24(45)18(9-38)58-37(34)60-33-26(47)22-16(40)6-15(7-17(22)57-32(33)13-2-4-14(39)5-3-13)56-36-31(52)28(49)25(46)19(59-36)10-53-11-54-21(43)8-20(41)42/h2-7,12,18-19,23-25,27-31,34-40,44-46,48-52H,8-11H2,1H3,(H,41,42)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 5

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Liliopsida 1

Family

family name count
Iridaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Crocus chrysanthus 481050 Iridaceae Liliopsida Viridiplantae