input word = C00013925

Metabolite InformationStructural formula
Name Isorhamnetin 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3'''-(E)-p-coumaroylgalactoside]-7-rhamnoside
Quercetin 3'-methyl ether 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3'''-(E)-p-coumaroylgalactoside]-7-rhamnoside
3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C49H58O26
Mw 1062.32163203
CAS RN 412929-26-1
C_ID C00013925 ,
InChIKey HTWHBDQXGXOGDG-HEJXHLJXNA-N
InChICode InChI=1S/C49H58O26/c1-17-31(54)36(59)39(62)46(67-17)66-16-28-34(57)43(73-29(53)12-7-20-5-9-22(50)10-6-20)45(75-48-41(64)38(61)33(56)19(3)69-48)49(72-28)74-44-35(58)30-25(52)14-23(70-47-40(63)37(60)32(55)18(2)68-47)15-27(30)71-42(44)21-8-11-24(51)26(13-21)65-4/h5-15,17-19,28,31-34,36-41,43,45-52,54-57,59-64H,16H2,1-4H3/b12-7+/t17-,18+,19-,28-,31-,32-,33-,34-,36-,37+,38+,39-,40-,41-,43-,45-,46+,47-,48-,49-/m0/s1
SMILES c1c(cc(c(c1)O)OC)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)OC(=O)/C=C/c1ccc(cc1)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)c(cc(c2)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRhazya orientalis Ref.
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