input word = C00022075

Metabolite InformationStructural formula
Name Neophytadiene
Formula C20H38
Mw 278.29735121
CAS RN 504-96-1
C_ID C00022075 ,
InChIKey NIDGCIPAMWNKOA-UHFFFAOYNA-N
InChICode InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3/t19-,20-/m1/s1
SMILES CC(CCC[C@H](CCC[C@@H](CCCC(=C)C=C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea armena Ref.
PlantaeAsteraceaeGynura segetum Ref.
PlantaeAsteraceaeLigularia stenocephala Matsum.et Koidz. Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
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