input word = C00040802

Metabolite InformationStructural formula
Name 20-Oxo-21-nor-20,21-seco-tingen-22-al
Formula C27H34O4
Mw 422.24570957
CAS RN 220223-75-6
C_ID C00040802 ,
InChIKey UZLRIJBWQKBEHG-PFZSVUCYNA-N
InChICode InChI=1S/C27H34O4/c1-16(29)13-22-24(3,15-28)9-11-26(5)21-8-7-18-17(2)23(31)20(30)14-19(18)25(21,4)10-12-27(22,26)6/h7-8,14-15,22,31H,9-13H2,1-6H3/t22-,24+,25+,26-,27+/m1/s1
SMILES C([C@@H]1[C@](C=O)(CC[C@]2([C@]1(CC[C@@]1(C2=CC=C2C1=CC(=O)C(=C2C)O)C)C)C)C)C(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeGlyptopetalum sclerocarpum Ref.
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OrganismGlyptopetalum sclerocarpum
ReferenceSotanaphun,Phytochem.,49,(1998),1749