input word = C00046923

Metabolite InformationStructural formula
Name Senegose F
(-)-Senegose F
Formula C55H66O30
Mw 1206.36389077
CAS RN 156031-86-6
C_ID C00046923 ,
InChIKey BGQQTHMLLDFEBR-BKZQDCCNNA-N
InChICode InChI=1S/C55H66O30/c1-25(58)74-22-36-41(65)44(68)46(70)53(78-36)81-48-47(80-39(63)17-13-28-11-15-31(61)33(19-28)73-4)37(23-75-26(2)59)79-54(49(48)82-52-45(69)43(67)40(64)34(20-56)77-52)85-55(24-76-38(62)16-12-27-10-14-30(60)32(18-27)72-3)50(42(66)35(21-57)84-55)83-51(71)29-8-6-5-7-9-29/h5-19,34-37,40-50,52-54,56-57,60-61,64-70H,20-24H2,1-4H3/b16-12+,17-13+/t34-,35-,36-,37-,40-,41-,42-,43+,44+,45-,46-,47-,48+,49-,50+,52+,53+,54-,55+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)C)O[C@H]1[C@H](OC(=O)/C=C/c2ccc(c(c2)OC)O)[C@H](O[C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@]1(O[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)O)CO)COC(=O)/C=C/c1cc(c(cc1)O)OC)COC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala senega var.latifolia Ref.
PlantaePolygalaceaePolygala wattersii Ref.
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