input word = C00048013

Metabolite InformationStructural formula
Name Moluccensin E
Formula C36H46O12
Mw 670.29892693
CAS RN 1186534-31-5
C_ID C00048013 ,
InChIKey UBIMVMXJRZDHMZ-UHFFFAOYNA-N
InChICode InChI=1S/C36H46O12/c1-9-18(4)29(41)48-35-16-33(6)25(24(38)30(42)44-8)34(35,7)20-10-12-32(5)21(14-22(37)46-27(32)19-11-13-45-15-19)23(20)26(39)36(35,43)31(33)47-28(40)17(2)3/h11,13,15,17-18,20,24-25,27,31,38,43H,9-10,12,14,16H2,1-8H3/t18-,20+,24+,25-,27+,31-,32+,33-,34-,35-,36+/m0/s1
SMILES CCC(C)C(=O)OC12CC3(C)C(OC(=O)C(C)C)C1(O)C(=O)C1=C4CC(=O)OC(c5ccoc5)C4(C)CCC1C2(C)C3C(O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus moluccensis Ref.
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