input word = C00059471

Metabolite InformationStructural formula
Name alpha-Bergamotenic acid
Formula C15H22O2
Mw 234.16197995
CAS RN 124439-27-6
C_ID C00059471
InChIKey CTORLPNPQPAKGI-WZUFQYTHSA-N
InChICode InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5-;InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5-/t12-,13-,15-/m0/s1
SMILES CC(=CCCC1(C)C2CC=C(C)C1C2)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSantalaceaeSantalum album Ref.
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