input word = C00041023

Metabolite InformationStructural formula
Name Juniperexcelsic acid
(-)-Juniperexcelsic acid
Formula C22H32O4
Mw 360.23005951
CAS RN 233261-93-3
C_ID C00041023 ,
InChIKey RMGHMAQSHNALPO-XKRDQNIUNA-N
InChICode InChI=1S/C22H32O4/c1-7-14(2)8-10-17-15(3)9-11-18-21(17,5)13-12-19(26-16(4)23)22(18,6)20(24)25/h7,17-19H,1-3,8-13H2,4-6H3,(H,24,25)/t17-,18-,19+,21+,22+/m0/s1
SMILES C1(=C)CC[C@H]2[C@@]([C@H]1CCC(=C)C=C)(CC[C@H]([C@@]2(C(=O)O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeJuniperus excelsa Ref.
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OrganismJuniperus excelsa
ReferenceTopcu,Phytochem.,50,(1999),1195