input word = C00009662

Metabolite InformationStructural formula
Name Neorautanin
Formula C22H22O6
Mw 382.14163844
CAS RN 63343-93-1
C_ID C00009662 ,
InChIKey QQYQFSONAPRYKI-UHFFFAOYNA-N
InChICode InChI=1S/C22H22O6/c1-22(2)5-4-11-15(28-22)8-18-19(20(11)23-3)21-13(9-24-18)12-6-16-17(26-10-25-16)7-14(12)27-21/h6-8,13,21H,4-5,9-10H2,1-3H3/t13-,21+/m1/s1
SMILES c12c(c(c3c(c1)OC[C@H]1[C@@H]3Oc3c1cc1c(c3)OCO1)OC)CCC(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeNeorautanenia edulis Ref.
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