input word = C00032424

Metabolite InformationStructural formula
Name Triplostoside A
Formula C35H52O20
Mw 792.3051941
CAS RN 127422-61-1
C_ID C00032424 ,
InChIKey DNZCAZQBJHUVDX-NIOUABNHNA-N
InChICode InChI=1S/C35H52O20/c1-6-14-15(8-22(46-3)47-4)17(11-49-32(14)54-34-28(42)26(40)24(38)20(9-36)52-34)31(45)51-19-7-16-18(30(44)48-5)12-50-33(23(16)13(19)2)55-35-29(43)27(41)25(39)21(10-37)53-35/h6,11-16,19-29,32-43H,1,7-10H2,2-5H3/t13-,14-,15-,16+,19+,20-,21-,23+,24+,25+,26+,27+,28-,29-,32+,33+,34+,35+/m1/s1
SMILES C1=C([C@H]2[C@@H]([C@@H](O1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)[C@@H]([C@H](C2)OC(=O)C1=CO[C@H]([C@@H]([C@H]1CC(OC)OC)C=C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceae/Diervillaceae/Linnaeaceae/ValerianaceaeDipsacus asper Ref.
PlantaeLonganiaceaeStrychnos axillaris Ref.
PlantaeLonganiaceaeStrychnos lucida Ref.
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