input word = C00031682

Metabolite InformationStructural formula
Name Cleistanthin C
Formula C34H38O16
Mw 702.21598517
CAS RN 57576-58-6
C_ID C00031682 ,
InChIKey SOUKMFVXMWFSFB-BBLUHMQKNA-N
InChICode InChI=1S/C34H38O16/c1-40-20-8-15-16(9-21(20)41-2)28(17-11-44-32(39)25(17)24(15)14-5-6-19-22(7-14)47-13-46-19)49-33-27(38)26(37)30(23(10-35)48-33)50-34-31(43-4)29(42-3)18(36)12-45-34/h5-9,18,23,26-27,29-31,33-38H,10-13H2,1-4H3/t18-,23-,26-,27-,29+,30-,31-,33+,34+/m1/s1
SMILES c12c(c(c3c(c1c1cc4c(cc1)OCO4)cc(c(c3)OC)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)OC)OC)CO)COC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia procumbens L.var.decumbens Honda. Ref.
PlantaePhyllanthaceaeCleistanthus collinus Ref.
PlantaeRutaceaeHaplophyllum alberti-regelli Ref.
PlantaeRutaceaeHaplophyllum bucharicum Litv. Ref.
PlantaeRutaceaeHaplophyllum pedicellatum Ref.
PlantaeTaxodiaceaeTaiwania cryptomerioides Ref.
--Usticia procumbens Ref.
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