input word = C00000634

Metabolite InformationStructural formula
Name Plicatic acid
Formula C20H22O10
Mw 422.12129692
CAS RN 16462-65-0
C_ID C00000634 ,
InChIKey PGFBYAIGHPJFFJ-VCSXCCQWNA-N
InChICode InChI=1S/C20H22O10/c1-29-14-5-10-7-19(27,8-21)20(28,18(25)26)16(11(10)6-12(14)22)9-3-13(23)17(24)15(4-9)30-2/h3-6,16,21-24,27-28H,7-8H2,1-2H3,(H,25,26)/t16-,19+,20+/m0/s1
SMILES c12c(cc(c(c1)O)OC)C[C@@]([C@@]([C@H]2c1cc(c(c(c1)O)O)OC)(C(=O)O)O)(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeThuja heterophylla Ref.
PlantaeCupressaceaeThuja plicata Ref.
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