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.
PlantaeLabiataePerilla frutescens Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeTurneraceaeTurnera ulmifolia Ref.
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