input word = C00045278

Metabolite InformationStructural formula
Name Dalmaisiose F
(-)-Dalmaisiose F
Formula C58H72O32
Mw 1280.40067021
CAS RN 418811-19-5
C_ID C00045278 ,
InChIKey GLDXDBQXOCJVQC-WIYQOTKYNA-N
InChICode InChI=1S/C58H72O32/c1-25-39(66)43(70)46(73)54(80-25)81-30-14-9-27(10-15-30)12-18-38(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)17-13-28-11-16-31(63)32(19-28)77-3)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/b17-13+,18-12-/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 COc1cc(/C=C/C(=O)OC[C@@]2(O[C@H]3O[C@H](COC(C)=O)[C@@H](OC(=O)/C=C/c4ccc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc4)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c2ccccc2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala dalmaisiana Ref.
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