PCIDB

KNApSAcK Metabolite C00032843

Metabolite

KNApSAcK Entry

id C00032843
Name Clematibetoside A / (-)-Clematibetoside A
CAS RN 344590-73-4
Standard InChI InChI=1S/C85H130O43/c1-32-49(94)55(100)61(106)73(115-32)124-66-41(26-87)118-71(63(108)58(66)103)113-29-43-53(98)56(101)62(107)75(121-43)128-79(111)85-21-19-80(3,4)24-36(85)35-11-13-46-81(5)17-16-47(82(6,31-89)45(81)15-18-84(46,8)83(35,7)20-22-85)122-77-69(51(96)39(92)28-112-77)127-76-65(110)68(50(95)33(2)116-76)126-72-60(105)54(99)44(30-114-72)120-74-64(109)59(104)67(42(27-88)119-74)125-78-70(57(102)52(97)40(25-86)117-78)123-48(93)14-10-34-9-12-37(90)38(91)23-34/h9-12,14,23,32-33,36,39-47,49-78,86-92,94-110H,13,15-22,24-31H2,1-8H3/b14-10+/t32-,33-,36-,39-,40+,41+,42+,43+,44+,45+,46+,47-,49-,50-,51-,52+,53+,54+,55+,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72-,73-,74-,75-,76-,77?,78-,81-,82-,83+,84+,85-/m0/s1
Standard InChI (Main Layer) InChI=1S/C85H130O43/c1-32-49(94)55(100)61(106)73(115-32)124-66-41(26-87)118-71(63(108)58(66)103)113-29-43-53(98)56(101)62(107)75(121-43)128-79(111)85-21-19-80(3,4)24-36(85)35-11-13-46-81(5)17-16-47(82(6,31-89)45(81)15-18-84(46,8)83(35,7)20-22-85)122-77-69(51(96)39(92)28-112-77)127-76-65(110)68(50(95)33(2)116-76)126-72-60(105)54(99)44(30-114-72)120-74-64(109)59(104)67(42(27-88)119-74)125-78-70(57(102)52(97)40(25-86)117-78)123-48(93)14-10-34-9-12-37(90)38(91)23-34/h9-12,14,23,32-33,36,39-47,49-78,86-92,94-110H,13,15-22,24-31H2,1-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 49

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Ranunculaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Clematis tibetana KUNTZ 3452 Ranunculaceae eudicotyledons Viridiplantae