input word = C00045275

Metabolite InformationStructural formula
Name Dalmaisione B
(-)-Dalmaisione B
Formula C45H48O23
Mw 956.25863784
CAS RN 418808-48-7
C_ID C00045275 ,
InChIKey BNCRBSWKJQGXFZ-IXQXZNBWNA-N
InChICode InChI=1S/C45H48O23/c1-17-29(47)34(52)38(56)44(62-17)68-41-36(54)33(51)26(66-45(41)64-22-10-6-8-20-39(22)67-42(57)28-30(48)19-7-4-5-9-21(19)63-40(20)28)16-61-43-37(55)35(53)32(50)25(65-43)15-60-27(46)12-11-18-13-23(58-2)31(49)24(14-18)59-3/h4-14,17,25-26,29,32-38,41,43-45,47,49-56H,15-16H2,1-3H3/b12-11+/t17-,25+,26+,29-,32+,33+,34+,35-,36-,37+,38+,41+,43+,44-,45+/m0/s1
SMILES COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](Oc4cccc5c4oc(=O)c4c(=O)c6ccccc6oc45)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala dalmaisiana Ref.
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