input word = C00012881

Metabolite InformationStructural formula
Name 1-Deoxyivangustin
Alloalantolactone
[3aR-(3aalpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Formula C15H20O2
Mw 232.14632988
CAS RN 64340-41-6
C_ID C00012881 ,
InChIKey OTDVFDVEFZSECW-NVOPMDDPNA-N
InChICode InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11,13H,2,4-8H2,1,3H3/t11-,13-,15-/m1/s1
SMILES C1(=C2[C@](CCC1)(C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula helenium Ref.
PlantaeAsteraceaeInula racemosa Ref.
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OrganismInula racemosa
ReferenceBohlmann,Phytochem.,17,(1978),1165