input word = C00058008

Metabolite InformationStructural formula
Name Squamoxinone
Formula C37H68O7
Mw 624.49650453
CAS RN 206192-81-6
C_ID C00058008
InChIKey JQYLOYZQPAYVNC-HNTZCAITSA-N
InChICode InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-14-16-21-31(39)20-15-12-13-17-22-32-28-30(27-29(2)38)37(42)43-32/h30-36,39-41H,3-28H2,1-2H3/t30?,31-,32+,33+,34+,35+,36+/m0/s1
SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCC[C@@H](O)CCCCCC[C@@H]2CC(CC(C)=O)C(=O)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona squamosa Ref.
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