input word = C00021851

Metabolite InformationStructural formula
Name alpha-Santalene-12,15-dioic acid
Formula C15H20O4
Mw 264.13615913
CAS RN 74513-99-8
C_ID C00021851 ,
InChIKey MZGNQYVCSIVGIM-XBXARRHUNA-N
InChICode InChI=1S/C15H20O4/c1-8(12(16)17)4-3-5-14(2)9-6-10-11(7-9)15(10,14)13(18)19/h4,9-11H,3,5-7H2,1-2H3,(H,16,17)(H,18,19)/b8-4+/t9-,10+,11-,14-,15+/m0/s1
SMILES [C@H]12[C@@]3([C@H]1C[C@H](C2)[C@]3(C)CC/C=C(/C(=O)O)\C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAyapana amygdalina Ref.
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OrganismAyapana amygdalina
ReferenceBohlmann,Phytochem.,18,(1979),1997