input word = C00009370

Metabolite InformationStructural formula
Name Mongolicin A
Formula C62H46O37
Mw 1382.17179249
CAS RN 118964-13-9
C_ID C00009370 ,
InChIKey UHGMPAAGHIYKSE-IMLMULAJNA-N
InChICode InChI=1S/C62H46O37/c63-8-21-38(74)47(83)50(86)62(94-21)99-55-46(82)27-17(67)7-16(66)26(53(27)95-51(55)10-1-2-14(64)15(65)3-10)32-31-34-30(44(80)49(85)45(31)81)29-33-28(42(78)48(84)43(29)79)25-13(6-20(70)37(73)41(25)77)58(88)93-22-9-92-57(87)11-4-18(68)35(71)39(75)23(11)24-12(5-19(69)36(72)40(24)76)59(89)96-52(22)56(98-61(33)91)54(32)97-60(34)90/h1-7,21-22,32,38,47,50-52,54-56,62-81,83-86H,8-9H2/t21-,22-,32+,38-,47+,50-,51+,52-,54+,55-,56+,62+/m1/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](C2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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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