input word = C00049003

Metabolite InformationStructural formula
Name Methyl atlantonate
Formula C16H24O3
Mw 264.17254463
CAS RN 120019-20-7
C_ID C00049003 ,
InChIKey QGBVBYUDRGXELK-ZRDIBKRKNA-N
InChICode InChI=1S/C16H24O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,10-11,13H,5-6,8-9H2,1-4H3/b12-10+/t13-/m1/s1
SMILES C1=C(CC[C@@H](C1)/C(=C/C(=O)CC(C)C)/C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePseudotsuga wilsoniana Ref.
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