input word = C00032533

Metabolite InformationStructural formula
Name Xylogranatin B
Formula C34H42O12
Mw 642.26762681
CAS RN 914917-14-9
C_ID C00032533 ,
InChIKey FOIBRFBSPKGPOD-QCRKHYIVNA-N
InChICode InChI=1S/C34H42O12/c1-9-17(2)31(40)46-29-26(27(39)18(3)21(32(29,5)6)14-24(37)42-8)30(44-19(4)35)34(41)22-15-25(38)45-28(20-11-13-43-16-20)33(22,7)12-10-23(34)36/h9,11,13,15-16,18,21,26,28-30,41H,10,12,14H2,1-8H3/b17-9+/t18-,21-,26-,28+,29-,30-,33-,34+/m1/s1
SMILES C/C=C(C)C(=O)O[C@@H]1[C@H]([C@@H](OC(C)=O)[C@@]2(O)C(=O)CC[C@]3(C)C2=CC(=O)O[C@H]3c2ccoc2)C(=O)[C@H](C)[C@@H](CC(=O)OC)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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