input word = C00047728

Metabolite InformationStructural formula
Name Arisanschinin I
Formula C27H32O9
Mw 500.20463262
CAS RN 1181216-81-8
C_ID C00047728 ,
InChIKey TXIXVKOZNHGRIZ-MDWZMJQENA-N
InChICode InChI=1S/C27H32O9/c1-8-13(2)26(29)36-25-16-11-17(31-5)22(32-6)21(28)20(16)19-15(9-14(3)27(25,4)30)10-18-23(24(19)33-7)35-12-34-18/h8,10-11,14,25,28,30H,9,12H2,1-7H3/b13-8+/t14-,25-,27+/m0/s1
SMILES c12c(C[C@@H]([C@@]([C@H](c3c1c(c(c(c3)OC)OC)O)OC(=O)/C(=C/C)/C)(C)O)C)cc1c(c2OC)OCO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeSchisandra arisanensis Ref.
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