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 [C@]123[C@]4(C5=CC(=O)O[C@@H]([C@]5([C@@H](C1)OC(=O)C)C)c1cocc1)[C@H]([C@H]1[C@]5([C@@]2([C@@H]([C@@]([C@H]1OC(=O)C)(C5)C)[C@H](OC(=O)C)C(=O)OC)C)O)O[C@](O3)(O4)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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