input word = C00006117

Metabolite InformationStructural formula
Name Pterosupin
Formula C21H24O10
Mw 436.13694699
CAS RN 81861-73-6
C_ID C00006117 ,
InChIKey PXLWOFBAEVGBOA-SMJHLFPNNA-N
InChICode InChI=1S/C21H24O10/c22-8-15-18(28)19(29)20(30)21(31-15)16-12(24)6-5-11(17(16)27)14(26)7-13(25)9-1-3-10(23)4-2-9/h1-6,13,15,18-25,27-30H,7-8H2/t13-,15+,18-,19+,20-,21+/m1/s1
SMILES c1(c(c(c(cc1)C(=O)C[C@H](c1ccc(cc1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeFabaceaePterocarpus marsupium Ref.
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