input word = C00039550

Metabolite InformationStructural formula
Name Kadsuralignan I
Formula C27H32O8
Mw 484.209718
CAS RN 960511-17-5
C_ID C00039550 ,
InChIKey YWWMZTMLSGNGCL-MDWZMJQENA-N
InChICode InChI=1S/C27H32O8/c1-8-13(2)27(29)35-26-20-16(10-18(30-5)23(26)31-6)9-14(3)15(4)22(28)17-11-19-24(34-12-33-19)25(32-7)21(17)20/h8,10-11,14-15,22,28H,9,12H2,1-7H3/b13-8+/t14-,15-,22-/m1/s1
SMILES c12c([C@@H]([C@@H]([C@@H](Cc3c1c(c(c(c3)OC)OC)OC(=O)/C(=C/C)/C)C)C)O)cc1c(c2OC)OCO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura coccinea Ref.
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