input word = C00038782

Metabolite InformationStructural formula
Name Circinasine D
Formula C31H43NO8
Mw 557.29886736
CAS RN 939972-78-8
C_ID C00038782 ,
InChIKey PDUVVYYRCZCJDU-UHFFFAOYNA-N
InChICode InChI=1S/C31H43NO8/c1-5-32-15-28(16-37-2)11-10-23(39-4)31-20-12-19-22(33)14-29(35,21(26(31)32)13-30(28,31)36)24(20)25(19)40-27(34)17-6-8-18(38-3)9-7-17/h6-9,19-26,33,35-36H,5,10-16H2,1-4H3/t19-,20-,21-,22-,23-,24-,25+,26+,28-,29+,30-,31+/m1/s1
SMILES [C@H]12[C@@H]3N(C[C@@]4([C@@]([C@@]3([C@@H]3C[C@@H]5[C@@H](C[C@]2([C@H]3[C@H]5OC(=O)c2ccc(cc2)OC)O)O)[C@@H](CC4)OC)(C1)O)COC)CC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum var.circinatum Ref.
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