input word = C00008970

Metabolite InformationStructural formula
Name Pilosanol A
Formula C29H32O10
Mw 540.19954724
CAS RN 142542-76-5
C_ID C00008970 ,
InChIKey AXODAJZSINDBPB-QJFKVZSGNA-N
InChICode InChI=1S/C29H32O10/c1-5-12(2)24(35)23-26(37)17(25(36)13(3)27(23)38-4)9-15-19(31)11-20(32)16-10-22(34)28(39-29(15)16)14-6-7-18(30)21(33)8-14/h6-8,11-12,22,28,30-34,36-37H,5,9-10H2,1-4H3/t12-,22+,28+/m0/s1
SMILES CCC(C)C(=O)c1c(O)c(Cc2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)c(O)c(C)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeAgrimonia pilosa Ref.
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