PCIDB

KNApSAcK Metabolite C00006016

Metabolite

KNApSAcK Entry

id C00006016
Name Isorhamnetin 3-(3'''-ferulylrobinobioside) / Isorhamnetin 3-(3'''-feruloylrhamnosyl)-(1->6)-galactoside / Quercetin 3'-methyl ether 3-(3'''-feruloylrhamnosyl)-(1->6)-galactoside / 3-[[6-O-[6-Deoxy-3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
CAS RN 173485-09-1
Standard InChI InChI=1S/C38H40O19/c1-15-28(44)35(56-26(43)9-5-16-4-7-19(40)22(10-16)50-2)33(49)37(53-15)52-14-25-29(45)31(47)32(48)38(55-25)57-36-30(46)27-21(42)12-18(39)13-24(27)54-34(36)17-6-8-20(41)23(11-17)51-3/h4-13,15,25,28-29,31-33,35,37-42,44-45,47-49H,14H2,1-3H3/b9-5+/t15?,25?,28-,29-,31?,32?,33?,35-,37+,38-/m0/s1
Standard InChI (Main Layer) InChI=1S/C38H40O19/c1-15-28(44)35(56-26(43)9-5-16-4-7-19(40)22(10-16)50-2)33(49)37(53-15)52-14-25-29(45)31(47)32(48)38(55-25)57-36-30(46)27-21(42)12-18(39)13-24(27)54-34(36)17-6-8-20(41)23(11-17)51-3/h4-13,15,25,28-29,31-33,35,37-42,44-45,47-49H,14H2,1-3H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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