input word = C00012900

Metabolite InformationStructural formula
Name Isoalantodiene
[3aR-(3aalpha,8abeta,9aalpha)]-3a,7,8,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Formula C15H18O2
Mw 230.13067982
CAS RN 86918-97-0
C_ID C00012900 ,
InChIKey VABBBANAQPBXBX-NVOPMDDPNA-N
InChICode InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h5,7,11,13H,2,4,6,8H2,1,3H3/t11-,13-,15-/m1/s1
SMILES C1(=CCC[C@]2(C1=C[C@H]1[C@@H](C2)OC(=O)C1=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula racemosa Ref.
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