input word = C00046582

Metabolite InformationStructural formula
Name 3'-Methoxyacoforestinine
Formula C36H53O11
Mw 661.35878754
CAS RN 307321-72-8
C_ID C00046582 ,
InChIKey YIVSWIKKWQABGU-UHFFFAOYNA-N
InChICode InChI=1S/C36H53NO11/c1-9-37-17-33(18-41-3)23(38)14-24(44-6)36-20-15-34(40)25(45-7)16-35(47-10-2,27(30(36)37)28(46-8)29(33)36)26(20)31(34)48-32(39)19-11-12-21(42-4)22(13-19)43-5/h11-13,20,23-31,38,40H,9-10,14-18H2,1-8H3/t20-,23+,24+,25+,26-,27-,28-,29+,30+,31+,33-,34+,35-,36-/m0/s1
SMILES C1[C@H]([C@@]2([C@@H]3[C@@]4([C@@H]1OC)[C@@H]1[C@@H]5[C@@](C[C@H]([C@@]([C@@H]5OC(=O)c5ccc(c(c5)OC)OC)(C1)O)OC)([C@@H]([C@@H]3OC)[C@H]4N(C2)CC)OCC)COC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum falconeri Ref.
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