input word = C00032534

Metabolite InformationStructural formula
Name Xylogranatin C
Formula C29H34O10
Mw 542.21519731
CAS RN 914917-15-0
C_ID C00032534 ,
InChIKey OZYCYLSFCHKMLB-MERNIEDZNA-N
InChICode InChI=1S/C29H34O10/c1-15-19(11-22(32)36-6)27(3,4)13-18(24(15)34)26(38-16(2)30)29(35)20-12-23(33)39-25(17-8-10-37-14-17)28(20,5)9-7-21(29)31/h8,10,12-15,19,25-26,35H,7,9,11H2,1-6H3/t15-,19-,25+,26-,28-,29+/m1/s1
SMILES C1([C@@H]([C@H](C(=O)C(=C1)[C@H]([C@@]1(C2=CC(=O)O[C@H]([C@@]2(CCC1=O)C)c1cocc1)O)OC(=O)C)C)CC(=O)OC)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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