input word = C00039547

Metabolite InformationStructural formula
Name Kadsuracoccinic acid B
(+)-Kadsuracoccinic acid B
Formula C30H48O2
Mw 440.36543078
CAS RN 1016260-23-3
C_ID C00039547 ,
InChIKey NUJQBRDVEPPTHP-KUHHANPVNA-N
InChICode InChI=1S/C30H48O2/c1-20(2)10-9-11-22(5)24-14-18-30(8)26-13-12-23(21(3)4)28(6,17-16-27(31)32)25(26)15-19-29(24,30)7/h11,15,20,23-24,26H,3,9-10,12-14,16-19H2,1-2,4-8H3,(H,31,32)/b22-11+/t23-,24+,26+,28-,29+,30-/m0/s1
SMILES [C@]12([C@](CC=C3[C@H]1CC[C@H]([C@@]3(CCC(=O)O)C)C(=C)C)([C@H](CC2)/C(=C/CCC(C)C)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura coccinea Ref.
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OrganismKadsura coccinea
ReferenceLi,J.Nat.Prod.,71,(2008),739