input word = C00008972

Metabolite InformationStructural formula
Name Pilosanol C
Formula C28H30O10
Mw 526.18389718
CAS RN 142542-78-7
C_ID C00008972 ,
InChIKey UYBMYSLWGHMDRE-BUUNUKEDNA-N
InChICode InChI=1S/C28H30O10/c1-4-5-18(30)23-25(36)16(24(35)12(2)26(23)37-3)9-14-19(31)11-20(32)15-10-22(34)27(38-28(14)15)13-6-7-17(29)21(33)8-13/h6-8,11,22,27,29,31-36H,4-5,9-10H2,1-3H3/t22-,27-/m1/s1
SMILES c1(cc(c2c(c1Cc1c(c(c(c(c1O)C(=O)CCC)OC)C)O)O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeAgrimonia pilosa Ref.
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