PCIDB

KNApSAcK Metabolite C00013806

Metabolite

KNApSAcK Entry

id C00013806
Name Kaempferol 3-glucosyl-(1->6)-[rhamnosyl-(1->3)-(2''-(E)-p-coumaroylglucoside)]-7-rhamnosyl-(1->3)-rhamnosyl-(1->3)-(4''-(E)-p-coumaroylrhamnoside) / 7-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS RN 622411-39-6
Standard InChI InChI=1S/C69H82O36/c1-25-43(77)49(83)53(87)65(92-25)102-59-45(79)27(3)94-68(55(59)89)104-62-56(90)67(95-28(4)57(62)100-40(75)19-9-29-5-13-32(71)14-6-29)96-35-21-36(74)42-37(22-35)97-58(31-11-17-34(73)18-12-31)61(48(42)82)105-69-63(101-41(76)20-10-30-7-15-33(72)16-8-30)60(103-66-54(88)50(84)44(78)26(2)93-66)47(81)39(99-69)24-91-64-52(86)51(85)46(80)38(23-70)98-64/h5-22,25-28,38-39,43-47,49-57,59-60,62-74,77-81,83-90H,23-24H2,1-4H3/b19-9+,20-10+/t25?,26?,27?,28?,38?,39?,43-,44-,45-,46+,47+,49?,50?,51-,52?,53-,54-,55-,56-,57-,59?,60-,62?,63?,64+,65-,66-,67-,68-,69-/m0/s1
Standard InChI (Main Layer) InChI=1S/C69H82O36/c1-25-43(77)49(83)53(87)65(92-25)102-59-45(79)27(3)94-68(55(59)89)104-62-56(90)67(95-28(4)57(62)100-40(75)19-9-29-5-13-32(71)14-6-29)96-35-21-36(74)42-37(22-35)97-58(31-11-17-34(73)18-12-31)61(48(42)82)105-69-63(101-41(76)20-10-30-7-15-33(72)16-8-30)60(103-66-54(88)50(84)44(78)26(2)93-66)47(81)39(99-69)24-91-64-52(86)51(85)46(80)38(23-70)98-64/h5-22,25-28,38-39,43-47,49-57,59-60,62-74,77-81,83-90H,23-24H2,1-4H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 839

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Planchonia grandis 3642 asterids Viridiplantae