input word = C00045279

Metabolite InformationStructural formula
Name Dalmaisiose G
(-)-Dalmaisiose G
Formula C59H74O33
Mw 1310.4112349
CAS RN 418811-20-8
C_ID C00045279 ,
InChIKey DIBJPNGLNAVRSF-KGVAPDOUNA-N
InChICode InChI=1S/C58H72O33/c1-24-38(66)42(70)45(73)53(80-24)82-30-15-11-27(19-32(30)78-4)13-17-37(65)85-49-48(86-54-46(74)43(71)39(67)33(20-59)83-54)50(87-55-47(75)44(72)40(68)34(21-60)84-55)57(89-56(49)81-25(2)62)91-58(23-79-36(64)16-12-26-10-14-29(63)31(18-26)77-3)51(41(69)35(22-61)90-58)88-52(76)28-8-6-5-7-9-28/h5-19,24,33-35,38-51,53-57,59-61,63,66-75H,20-23H2,1-4H3/b16-12+,17-13+/t24-,33+,34-,35+,38-,39+,40+,41+,42+,43-,44-,45-,46+,47+,48-,49-,50+,51-,53-,54-,55-,56-,57+,58-/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@@](O1)(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[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)OC(=O)/C=C/c1cc(c(cc1)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)OC)OC(=O)C)COC(=O)/C=C/c1cc(c(cc1)O)OC)OC(=O)c1ccccc1)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala dalmaisiana Ref.
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OrganismPolygala dalmaisiana
ReferenceKobayashi,J.Nat.Prod.,65,(2002),319