PCIDB

KNApSAcK Metabolite C00006331

Metabolite

KNApSAcK Entry

id C00006331
Name Isoorientin 4'-O-glucoside 2''-O-(E)-ferulate
CAS RN 60077-50-1
Standard InChI InChI=1S/C37H38O19/c1-51-22-8-14(2-5-16(22)40)3-7-26(44)56-36-33(49)30(46)24(12-38)53-35(36)28-19(43)11-23-27(31(28)47)18(42)10-21(52-23)15-4-6-20(17(41)9-15)54-37-34(50)32(48)29(45)25(13-39)55-37/h2-11,24-25,29-30,32-41,43,45-50H,12-13H2,1H3/b7-3+/t24?,25?,29-,30-,32+,33+,34?,35+,36?,37-/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H38O19/c1-51-22-8-14(2-5-16(22)40)3-7-26(44)56-36-33(49)30(46)24(12-38)53-35(36)28-19(43)11-23-27(31(28)47)18(42)10-21(52-23)15-4-6-20(17(41)9-15)54-37-34(50)32(48)29(45)25(13-39)55-37/h2-11,24-25,29-30,32-41,43,45-50H,12-13H2,1H3

Cluster

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

Link

ChEMBL

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CTD

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