input word = C00048011

Metabolite InformationStructural formula
Name Moluccensin B
Formula C36H46O11
Mw 654.30401231
CAS RN 1186534-30-4
C_ID C00048011 ,
InChIKey LLNKVAPYAWFFFK-UHFFFAOYNA-N
InChICode InChI=1S/C36H46O11/c1-9-19(4)30(41)46-31-33(6)17-35(47-29(40)18(2)3)34(7,23(33)15-24(37)43-8)21-10-12-32(5)22(26(21)27(39)36(31,35)42)14-25(38)45-28(32)20-11-13-44-16-20/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+/m0/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@H](CC)C)C)OC(=O)C(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus moluccensis Ref.
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