input word = C00013549

Metabolite InformationStructural formula
Name Axisothiocyanate 1
(1R,3aR,7aR)-Octahydro-1-[(1S)-1-isothiocyanato-2-methylpropyl]-3a-methyl-7-methylene-1H-indene
Formula C16H25NS
Mw 263.17077053
CAS RN 53822-97-2
C_ID C00013549 ,
InChIKey VLHPSDISSNMOQB-AEZOVKHSNA-N
InChICode InChI=1S/C16H25NS/c1-11(2)15(17-10-18)13-7-9-16(4)8-5-6-12(3)14(13)16/h11,13-15H,3,5-9H2,1-2,4H3/t13-,14+,15+,16-/m1/s1
SMILES [C@H]12[C@](CCCC1=C)(CC[C@H]2[C@@H](N=C=S)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella cannabina Ref.
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