input word = C00044325

Metabolite InformationStructural formula
Name Squamone
Formula C35H62O7
Mw 594.44955433
CAS RN 126655-24-1
C_ID C00044325 ,
InChIKey PAFMHAFYJMTISR-UHFFFAOYNA-N
InChICode InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28,30-34,38-39H,3-26H2,1-2H3/t28-,30+,31-,32-,33-,34+/m0/s1
SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H](O1)[C@@H](O)CCCCCC(=O)CCCC[C@@H]1C[C@@H](C(=O)O1)CC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona reticulata Ref.
PlantaeAnnonaceaeAnnona squamosa Ref.
zoom in