input word = C00031574

Metabolite InformationStructural formula
Name Ailantinol A
Formula C21H26O8
Mw 406.16276781
CAS RN 176181-83-2
C_ID C00031574 ,
InChIKey HUYSJYHAQVRRHA-UHFFFAOYNA-N
InChICode InChI=1S/C21H26O8/c1-9-5-13(22)17(24)20(3)11(9)6-14-21(8-28-19(26)16(20)21)12(7-15(23)29-14)10(2)18(25)27-4/h5,10-12,14,16-17,24H,6-8H2,1-4H3/t10-,11+,12-,14-,16-,17-,20+,21-/m1/s1
SMILES C1(=O)C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@]3([C@@H](C2)OC(=O)C[C@@H]3[C@@H](C)C(=O)OC)COC1=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
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