input word = C00056456

Metabolite InformationStructural formula
Name 3,4-Dihydroxy-5-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzoic acid
Formula C22H30O4
Mw 358.21440945
CAS RN 110979-04-9
C_ID C00056456
InChIKey VWHKYMBCXCSQEZ-KKYJLSSQSA-N
InChICode InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9-,17-11+
SMILES CC(C)=CCC/C(C)=CCC/C(C)=C/Cc1cc(C(=O)O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePiperaceaePiper auritum Ref.
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OrganismPiper auritum
ReferenceAmpofo, S.A. et al., Phytochemistry, 1987, 26, 2367 (isol, pmr, cmr, ms)