input word = C00048236

Metabolite InformationStructural formula
Name Xyloccensin O
Formula C35H40O15
Mw 700.23672061
CAS RN 713500-19-7
C_ID C00048236 ,
InChIKey OPGFYBVPXMGZOY-PWOIKGNKNA-N
InChICode InChI=1S/C35H40O15/c1-15(36)44-20-12-34-31(6)24(23(28(40)42-8)45-16(2)37)29(4)14-33(31,41)22(26(29)46-17(3)38)27-35(34,50-32(7,48-27)49-34)19-11-21(39)47-25(30(19,20)5)18-9-10-43-13-18/h9-11,13,20,22-27,41H,12,14H2,1-8H3/t20-,22+,23+,24-,25-,26+,27+,29+,30-,31+,32-,33-,34-,35+/m1/s1
SMILES COC(=O)[C@@H](OC(C)=O)C1[C@]2(C)[C@]34C[C@@H](OC(C)=O)[C@@]5(C)C(=CC(=O)O[C@@H]5c5ccoc5)[C@@]35O[C@](C)(O[C@H]5[C@@H]3[C@H](OC(C)=O)[C@@]1(C)C[C@@]32O)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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