input word = C00040709

Metabolite InformationStructural formula
Name Xylocarpin A
Formula C35H44O14
Mw 688.27310612
CAS RN 939775-73-2
C_ID C00040709 ,
InChIKey MODWWVKERCVJOU-UHFFFAOYNA-N
InChICode InChI=1S/C35H44O14/c1-16(36)45-25(30(41)43-8)26-32(6)15-34(49-19(4)39)24(28(32)46-17(2)37)29(47-18(3)38)35(42)21(33(26,34)7)9-11-31(5)22(35)13-23(40)48-27(31)20-10-12-44-14-20/h10,12,14,21-22,24-29,42H,9,11,13,15H2,1-8H3/t21-,22-,24-,25-,26+,27+,28+,29+,31+,32-,33-,34+,35+/m0/s1
SMILES COC(=O)C(OC(C)=O)C1C2(C)CC3(OC(C)=O)C(C2OC(C)=O)C(OC(C)=O)C2(O)C4CC(=O)OC(c5ccoc5)C4(C)CCC2C13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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