input word = C00053696

Metabolite InformationStructural formula
Name Polyalthic acid,methyl ester
Formula C21H30O3
Mw 330.21949482
CAS RN 2222-52-8
C_ID C00053696
InChIKey DCZZBGIVZGGJDO-ZFMNYDKASA-N
InChICode InChI=1S/C21H30O3/c1-15-6-9-18-20(2,11-5-12-21(18,3)19(22)23-4)17(15)8-7-16-10-13-24-14-16/h10,13-14,17-18H,1,5-9,11-12H2,2-4H3/t17-,18+,20+,21+/m1/s1
SMILES [H][C@@]12[C@](CCC[C@]2(C)C(OC)=O)(C)[C@H](CCC3=COC=C3)C(CC1)=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia aromatica Ref.
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