input word = C00012976

Metabolite InformationStructural formula
Name (+)-Tirotundifolin C
Tirotundifolin C
(3aR,4R,5aR,6R,9aS,9bR)-[partial]- 2,3,3a,4,5,5a,6,7,9a,9b-Decahydro-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 3-hydroxy-2-methylenebutanoic acid
Formula C20H26O6
Mw 362.17293856
CAS RN 92356-87-1
C_ID C00012976 ,
InChIKey LSNAIVHCRYSOKW-UHFFFAOYNA-N
InChICode InChI=1S/C20H26O6/c1-9-6-7-14(22)20(5)8-13(25-18(23)10(2)12(4)21)15-11(3)19(24)26-17(15)16(9)20/h6,12-17,21-22H,2-3,7-8H2,1,4-5H3/t12-,13-,14-,15+,16+,17-,20-/m0/s1
SMILES C=C(C(=O)OC1CC2(C)C(O)CC=C(C)C2C2OC(=O)C(=C)C12)C(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia rotundifolia Ref.
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