input word = C00013056

Metabolite InformationStructural formula
Name Rothin A
[3aR-(3aalpha,4alpha,5abeta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-4-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
Formula C15H20O3
Mw 248.1412445
CAS RN 33530-72-2
C_ID C00013056 ,
InChIKey GFTABBWAVCHCRO-CMZSJIBDNA-N
InChICode InChI=1S/C15H20O3/c1-8-5-4-6-15(3)7-10(16)11-9(2)14(17)18-13(11)12(8)15/h10-11,13,16H,2,4-7H2,1,3H3/t10-,11+,13-,15+/m0/s1
SMILES C1CC(=C2[C@](C1)(C[C@@H]([C@@H]1[C@@H]2OC(=O)C1=C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia rothrockii Ref.
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