input word = C00040712

Metabolite InformationStructural formula
Name Xylocarpin D
Formula C35H44O15
Mw 704.26802074
CAS RN 939775-76-5
C_ID C00040712 ,
InChIKey WWFHQTXLMHPBRD-UHFFFAOYNA-N
InChICode InChI=1S/C35H44O15/c1-15(36)46-22-11-21-33(7)26(25(41)30(42)44-8)31(5)14-34(33,50-18(4)39)24(28(31)47-16(2)37)29(48-17(3)38)35(21,43)20-12-23(40)49-27(32(20,22)6)19-9-10-45-13-19/h9-10,13,20-22,24-29,41,43H,11-12,14H2,1-8H3/t20-,21-,22-,24+,25-,26-,27+,28-,29+,31+,32+,33+,34-,35-/m0/s1
SMILES [C@]12([C@H]([C@@H](C(=O)OC)O)[C@]3([C@H]4[C@@]([C@H]5CC(=O)O[C@@H]([C@]5([C@H](C4)OC(=O)C)C)c4ccoc4)([C@@H]([C@H]([C@]3(C2)OC(=O)C)[C@@H]1OC(=O)C)OC(=O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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