input word = C00009372

Metabolite InformationStructural formula
Name Mongolicanin
Formula C71H50O37
Mw 1494.20309262
CAS RN 118964-17-3
C_ID C00009372 ,
InChIKey KYQYNHLZFNMUKF-GQPMVHKSNA-N
InChICode InChI=1S/C71H50O37/c72-20-3-1-14(5-23(20)75)60-31(83)7-16-22(74)11-25(77)36(62(16)104-60)40-37-26(78)12-27(79)38(64(37)105-61(57(40)94)15-2-4-21(73)24(76)6-15)44-43-46-42(55(92)59(96)56(43)93)41-45-39(53(90)58(95)54(41)91)35-19(10-30(82)49(86)52(35)89)68(98)103-32-13-102-67(97)17-8-28(80)47(84)50(87)33(17)34-18(9-29(81)48(85)51(34)88)69(99)106-63(32)66(108-71(45)101)65(44)107-70(46)100/h1-6,8-12,31-32,40,44,57,60-61,63,65-66,72-96H,7,13H2/t31-,32+,40-,44-,57-,60-,61+,63+,65-,66-/m0/s1
SMILES O=C1O[C@H]2[C@@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)[C@@H]4c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)c3c(O)c(O)c(O)c(c31)-c1c(O)c(O)c(O)c3c1C(=O)O[C@H]2[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC[C@H]1OC(=O)c1cc(O)c(O)c(O)c1-3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus mongolica Ref.
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