input word = C00050228

Metabolite InformationStructural formula
Name Scupontin F
(-)-Scupontin F
Formula C34H52O14
Mw 684.33570637
CAS RN 188846-90-4
C_ID C00050228 ,
InChIKey GWVBTYVATUKCQB-HEVPXLPCNA-N
InChICode InChI=1S/C34H52O14/c1-17-7-26(46-21(5)36)34(16-42-27(38)9-19(3)45-29(40)10-20(4)44-28(39)8-18(2)35)24(13-23(37)14-33(34)15-43-33)32(17,6)25-11-22-12-30(41)48-31(22)47-25/h17-20,22-26,30-31,35,37,41H,7-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24-,25+,26+,30-,31-,32+,33+,34+/m1/s1
SMILES [C@H]1(C[C@@H]([C@@]2([C@@H]([C@@]1(C)[C@@H]1C[C@@H]3[C@H](O1)O[C@H](C3)O)C[C@H](C[C@]12OC1)O)COC(=O)C[C@H](C)OC(=O)C[C@H](C)OC(=O)C[C@H](C)O)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria pontica Ref.
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