input word = C00053377

Metabolite InformationStructural formula
Name Isorotundene
Formula C15H24
Mw 204.18780077
CAS RN 394217-20-0
C_ID C00053377
InChIKey NPHFULIVCUBDDN-DVLUHMITSA-N
InChICode InChI=1S/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h10,12-14H,2,4-9H2,1,3H3/t10-,12-,13-,14+,15-/m1/s1
SMILES C[C@]1([C@](CC[C@H]2C)([H])[C@]2([H])C[C@H]3CC1)CC3=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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