input word = C00029349

Metabolite InformationStructural formula
Name (Z)-alpha-trans-Bergamotol acetate
trans-.alpha-Bergamotyl acetate
Formula C17H26O2
Mw 262.19328007
CAS RN 87978-33-4
C_ID C00029349 ,
InChIKey BDYQEBZJCFGMCH-XGWLZMAANA-N
InChICode InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)15-8-7-13(2)16(17)10-15/h6-7,15-16H,5,8-11H2,1-4H3/b12-6-/t15-,16-,17+/m0/s1
SMILES [C@]1([C@@H]2C(=CC[C@H]1C2)C)(CC/C=C(/C)\COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua L.cultivar Jwarharti Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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