input word = C00048012

Metabolite InformationStructural formula
Name Moluccensin C
Formula C36H46O11
Mw 654.30401231
CAS RN 1186496-62-7
C_ID C00048012 ,
InChIKey NYTWFVRFIOOMLM-UHFFFAOYNA-N
InChICode InChI=1S/C36H46O11/c1-9-19(4)30(41)47-35-17-33(6)23(15-24(37)43-8)34(35,7)21-10-12-32(5)22(14-25(38)45-28(32)20-11-13-44-16-20)26(21)27(39)36(35,42)31(33)46-29(40)18(2)3/h11,13,16,18-19,21,23,28,31,42H,9-10,12,14-15,17H2,1-8H3/t19-,21-,23+,28-,31-,32-,33-,34-,35-,36+/m1/s1
SMILES [C@@H]1(CC(=O)OC)[C@]2([C@H]3C(=C4CC(=O)O[C@@H]([C@@]4(CC3)C)c3ccoc3)C(=O)[C@]3([C@]2(C[C@]1([C@H]3OC(=O)C(C)C)C)OC(=O)[C@@H](CC)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus moluccensis Ref.
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