input word = C00008971

Metabolite InformationStructural formula
Name Pilosanol B
Formula C28H30O10
Mw 526.18389718
CAS RN 142542-77-6
C_ID C00008971 ,
InChIKey KAAFBPHWBXQTAW-WRKXNNCUNA-N
InChICode InChI=1S/C28H30O10/c1-11(2)23(34)22-25(36)16(24(35)12(3)26(22)37-4)8-14-18(30)10-19(31)15-9-21(33)27(38-28(14)15)13-5-6-17(29)20(32)7-13/h5-7,10-11,21,27,29-33,35-36H,8-9H2,1-4H3/t21-,27+/m0/s1
SMILES c1(cc(c2c(c1Cc1c(c(c(c(c1O)C(=O)C(C)C)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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