input word = C00009756

Metabolite InformationStructural formula
Name Neorauflavene
Formula C21H20O5
Mw 352.13107375
CAS RN 53734-75-1
C_ID C00009756 ,
InChIKey LDZFETFUTCHVSH-UHFFFAOYSA-N
InChICode InChI=1S/C21H20O5/c1-21(2)7-6-15-19(26-21)10-18-16(20(15)24-3)8-12(11-25-18)14-5-4-13(22)9-17(14)23/h4-10,22-23H,11H2,1-3H3
SMILES c12c(c(c3c(c1)OCC(=C3)c1c(cc(cc1)O)O)OC)C=CC(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeNeorautanenia edulis Ref.
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