input word = C00056643

Metabolite InformationStructural formula
Name Dotistenin
Formula C35H62O5
Mw 562.45972509
CAS RN 1208234-86-9
C_ID C00056643
InChIKey BWPXIORVXNEAEL-CNAGOSLXSA-N
InChICode InChI=1S/C35H62O5/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-12-14-17-20-23-30-28-29(2)39-35(30)38/h15,18,28-29,31-34,36-37H,3-14,16-17,19-27H2,1-2H3/b18-15-/t29?,31-,32+,33+,34+/m0/s1
SMILES [H][C@@]1([C@H](CC/C=CCCCCCCCCCC)O)O[C@]([C@H](O)CCCCCCCCCCC2=CC(C)OC2=O)([H])CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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