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 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)C3CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus moluccensis Ref.
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