input word = C00056648

Metabolite InformationStructural formula
Name 4-Epidihydroestafiatol
Formula C15H22O3
Mw 250.15689457
CAS RN 1209005-93-5
C_ID C00056648
InChIKey VYTWYRAYFDVDEF-PRVGOJICSA-N
InChICode InChI=1S/C15H22O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h8-14,16H,1,4-6H2,2-3H3/t8-,9-,10-,11-,12-,13-,14?/m0/s1
SMILES O[C@@H](C1)[C@H](C)[C@@]2([H])[C@]1([H])C(CC[C@]([C@@H]3C)([H])C2OC3=O)=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera austriaca Ref.
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OrganismScorzonera austriaca
ReferenceGonzalez, A.G. et al., An. Quim., 1972, 68, 333

1973, 69, 563 (Dihydroestafiatone, synth)