input word = C00013001

Metabolite InformationStructural formula
Name [3S-(3alpha,3aalpha,5abeta,6beta,8alpha,9bbeta)]- 3a,4,5,5a,6,7,8,9b-Octahydro-6,8-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
1-Epialkhanol
Formula C15H22O4
Mw 266.15180919
CAS RN 85847-69-4
C_ID C00013001 ,
InChIKey FTWSMHMWRDSQDU-YSUBBIGANA-N
InChICode InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9-11,13,16-17H,4-6H2,1-3H3/t7-,9-,10+,11+,13-,15-/m0/s1
SMILES [C@@H]1([C@]2(C(=C([C@@H](C1)O)C)[C@@H]1[C@@H](CC2)[C@@H](C(=O)O1)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia judaica Ref.
PlantaeAsteraceaePicris aculeata Ref.
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