input word = C00040711

Metabolite InformationStructural formula
Name Xylocarpin C
Formula C33H42O13
Mw 646.26254143
CAS RN 939775-75-4
C_ID C00040711 ,
InChIKey ZMAJTCVWPJLNNB-UHFFFAOYNA-N
InChICode InChI=1S/C33H42O13/c1-15(34)43-22-10-21-31(6)19(11-23(37)41-7)29(4)14-32(31,39)25(27(29)44-16(2)35)28(45-17(3)36)33(21,40)20-12-24(38)46-26(30(20,22)5)18-8-9-42-13-18/h8-9,13,19-22,25-28,39-40H,10-12,14H2,1-7H3/t19-,20+,21-,22-,25+,26-,27-,28-,29+,30-,31-,32-,33+/m1/s1
SMILES [C@@]12([C@@H](CC(=O)OC)[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)O)[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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