input word = C00013097

Metabolite InformationStructural formula
Name Vahlenin
(Dodecahydro-6,9-dihydroxy-5a-methyl-3-methylene-2-oxonaphtho[1,2-b]furan-9-yl)methyl ester 2-methyl-2-propenoic acid
Formula C19H26O6
Mw 350.17293856
CAS RN 54278-81-8
C_ID C00013097 ,
InChIKey OQJPDNUNEOBMBT-UHFFFAOYNA-N
InChICode InChI=1S/C19H26O6/c1-10(2)16(21)24-9-19(23)8-6-13(20)18(4)7-5-12-11(3)17(22)25-14(12)15(18)19/h12-15,20,23H,1,3,5-9H2,2,4H3/t12-,13+,14-,15-,18-,19-/m0/s1
SMILES C1C[C@@]([C@@H]2[C@]([C@@H]1O)(CC[C@@H]1[C@@H]2OC(=O)C1=C)C)(COC(=O)C(=C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea hyrcanica Ref.
PlantaeAsteraceaeCentaurea hyssopifolia Ref.
PlantaeAsteraceaeCentaurea linifolia Ref.
zoom in