input word = C00009652

Metabolite InformationStructural formula
Name Neorautane
Formula C21H20O5
Mw 352.13107375
CAS RN 36284-97-6
C_ID C00009652 ,
InChIKey BGWFJLDAZBGWOL-UHFFFAOYNA-N
InChICode InChI=1S/C21H20O5/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/h5-8,14,20H,3-4,9-10H2,1-2H3/t14-,20-/m1/s1
SMILES c12c(cc3c(c1)OC[C@H]1[C@@H]3Oc3c1cc1c(c3)OCO1)CCC(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeNeorautanenia edulis Ref.
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