input word = C00040180

Metabolite InformationStructural formula
Name Sabadelin
(+)-Sabadelin
Formula C35H62O3
Mw 530.46989584
CAS RN 260368-47-6
C_ID C00040180 ,
InChIKey LMDZVARATIVDAM-NJEXYXHANA-N
InChICode InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-13-16-19-22-25-28-33-34(38-33)29-26-23-20-17-14-11-10-12-15-18-21-24-27-32-30-31(2)37-35(32)36/h20,23,30-31,33-34H,3-19,21-22,24-29H2,1-2H3/b23-20-/t31-,33+,34-/m0/s1
SMILES O1[C@H](C=C(C1=O)CCCCCCCCCC/C=C\CC[C@@H]1O[C@@H]1CCCCCCCCCCCCCC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona muricata Ref.
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OrganismAnnona muricata
ReferenceGleye,Phytochem.,52,(1999),1403