input word = C00013768

Metabolite InformationStructural formula
Name Loropetalin D
Kaempferol 3-(2'',6''-digalloylglucoside)
3-[[2,6-bis-O-(3,4,5-Trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C35H28O19
Mw 752.12247872
CAS RN 197379-54-7
C_ID C00013768 ,
InChIKey GAWOMYRLBFCSGL-YKNKJOAJNA-N
InChICode InChI=1S/C35H28O19/c36-15-3-1-12(2-4-15)30-31(28(46)24-17(38)9-16(37)10-22(24)51-30)54-35-32(53-34(49)14-7-20(41)26(44)21(42)8-14)29(47)27(45)23(52-35)11-50-33(48)13-5-18(39)25(43)19(40)6-13/h1-10,23,27,29,32,35-45,47H,11H2/t23-,27-,29+,32-,35+/m1/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c1cc(c(c(c1)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHamamelidaceaeLoropetalum chinense Ref.
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