input word = C00009649

Metabolite InformationStructural formula
Name Neorautenane
Neorautenaan
1,2-Didehydroneorautane
Formula C21H18O5
Mw 350.11542369
CAS RN 65418-33-9
C_ID C00009649 ,
InChIKey OYJSNPOSPVUTQQ-UHFFFAOYNA-N
InChICode InChI=1S/C21H18O5/c1-21(2)4-3-11-5-13-16(7-15(11)26-21)22-9-14-12-6-18-19(24-10-23-18)8-17(12)25-20(13)14/h3-8,14,20H,9-10H2,1-2H3/t14-,20-/m1/s1
SMILES CC1(C)C=Cc2cc3c(cc2O1)OCC1c2cc4c(cc2OC31)OCO4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeNeorautanenia amboensis Ref.
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