input word = C00048010

Metabolite InformationStructural formula
Name Moluccensin A
(+)-Moluccensin A
Formula C35H44O11
Mw 640.28836225
CAS RN 1186496-61-6
C_ID C00048010 ,
InChIKey GAOIOSVEJZALMD-NPDRJPCDNA-N
InChICode InChI=1S/C35H44O11/c1-17(2)28(39)45-30-32(6)16-34(46-29(40)18(3)4)33(7,22(32)14-23(36)42-8)20-9-11-31(5)21(25(20)26(38)35(30,34)41)13-24(37)44-27(31)19-10-12-43-15-19/h10,12,15,17-18,20,22,27,30,41H,9,11,13-14,16H2,1-8H3/t20-,22-,27-,30-,31+,32+,33+,34+,35+/m0/s1
SMILES COC(=O)CC1[C@@]2(C)[C@H]3CC[C@]4(C)C(=C3C(=O)[C@@]3(O)[C@@H](OC(=O)C(C)C)[C@]1(C)C[C@]32OC(=O)C(C)C)CC(=O)O[C@H]4c1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus moluccensis Ref.
zoom in