input word = C00045277

Metabolite InformationStructural formula
Name Dalmaisiose E
(-)-Dalmaisiose E
Formula C58H72O32
Mw 1280.40067021
CAS RN 418811-17-3
C_ID C00045277 ,
InChIKey CRBQEZWKYRDLSX-RPQKKOTKNA-N
InChICode InChI=1S/C58H72O32/c1-25-39(66)43(70)46(73)54(80-25)81-31-16-11-28(19-32(31)77-3)13-18-38(65)85-49-36(23-78-26(2)62)84-57(51(87-56-48(75)45(72)41(68)34(21-60)83-56)50(49)86-55-47(74)44(71)40(67)33(20-59)82-55)90-58(24-79-37(64)17-12-27-9-14-30(63)15-10-27)52(42(69)35(22-61)89-58)88-53(76)29-7-5-4-6-8-29/h4-19,25,33-36,39-52,54-57,59-61,63,66-75H,20-24H2,1-3H3/b17-12+,18-13+/t25-,33+,34+,35+,36+,39-,40+,41+,42+,43+,44-,45-,46+,47+,48+,49+,50-,51+,52-,54?,55-,56-,57+,58-/m0/s1
SMILES O1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1COC(=O)C)OC(=O)/C=C/c1ccc(c(c1)OC)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@]1([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)c1ccccc1)COC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala dalmaisiana Ref.
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