input word = C00040710

Metabolite InformationStructural formula
Name Xylocarpin B
Formula C33H42O12
Mw 630.26762681
CAS RN 939775-74-3
C_ID C00040710 ,
InChIKey VGUYBWJXTOTJBG-UHFFFAOYNA-N
InChICode InChI=1S/C33H42O12/c1-16(34)42-27-25-28(43-17(2)35)33(39)20(8-10-29(4)22(33)13-24(38)44-26(29)19-9-11-41-14-19)31(6)21(12-23(37)40-7)30(27,5)15-32(25,31)45-18(3)36/h9,11,14,20-22,25-28,39H,8,10,12-13,15H2,1-7H3/t20-,21+,22-,25-,26-,27+,28+,29+,30-,31-,32+,33+/m0/s1
SMILES [C@@]12([C@@H](CC(=O)OC)[C@@]3([C@H]4[C@@]([C@H]5CC(=O)O[C@H]([C@@]5(CC4)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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OrganismXylocarpus granatum
ReferenceCui,J.Nat.Prod.,70,(2007),772