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 COc1cc(/C=C/C(=O)OC[C@@]2(O[C@H]3O[C@H](OC(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)c(OC)c4)[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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