input word = C00035433

Metabolite InformationStructural formula
Name Xyloccensin U
Formula C35H44O14
Mw 688.27310612
CAS RN 932740-34-6
C_ID C00035433 ,
InChIKey OCQSEGZYQFQJPG-UHFFFAOYNA-N
InChICode InChI=1S/C35H44O14/c1-16(36)45-24-11-23-33(7)21(12-25(40)43-8)31(5)15-34(33,49-19(4)39)27(29(31)46-17(2)37)30(47-18(3)38)35(23,42)22-13-26(41)48-28(32(22,24)6)20-9-10-44-14-20/h9-10,14,21-24,27-30,42H,11-13,15H2,1-8H3/t21-,22-,23+,24-,27-,28-,29+,30+,31-,32+,33+,34+,35+/m0/s1
SMILES COC(=O)CC1C2(C)CC3(OC(C)=O)C(C2OC(C)=O)C(OC(C)=O)C2(O)C4CC(=O)OC(c5ccoc5)C4(C)C(OC(C)=O)CC2C13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
zoom in