input word = C00056644

Metabolite InformationStructural formula
Name Lepirenin
Formula C35H62O5
Mw 562.45972509
CAS RN 1208234-87-0
C_ID C00056644
InChIKey BWPXIORVXNEAEL-DFYKPITHSA-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-/m1/s1
SMILES CCCCCCCCCC/C=CCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCC2=CC(C)OC2=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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