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 c1(c(c(c2c(c1)C(=O)O[C@@H]1[C@@H](COC(=O)c3cc(c(c(c23)O)O)O)OC(=O)c2cc(c(c(c2c2c(c(c(c3c2C(=O)O[C@@H]1[C@H]1OC(=O)c2c3c(c(c(c2[C@@H]1c1c(cc(c2c1O[C@@H]([C@H]([C@H]2c1c(cc(c2c1O[C@H]([C@H](C2)O)c1cc(c(cc1)O)O)O)O)O)c1cc(c(cc1)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus mongolica Ref.
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OrganismQuercus mongolica
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Ishimaru,Chem.Pharm.Bull.,36,(1988),3319