input word = C00031499

Metabolite InformationStructural formula
Name 12-O-Deacetyltrichilin H
Formula C34H44O13
Mw 660.27819149
CAS RN 872357-66-9
C_ID C00031499 ,
InChIKey NVFHKAJEEUUJEX-JSMCQOLUNA-N
InChICode InChI=1S/C34H44O13/c1-14(2)28(41)46-29-30(5)19-11-20(37)32(7)24(33(19,13-43-29)26(40)23(44-15(3)35)27(30)45-16(4)36)22(38)25(39)31(6)18(17-8-9-42-12-17)10-21-34(31,32)47-21/h8-9,12,14,18-21,23-27,29,37,39-40H,10-11,13H2,1-7H3/t18-,19-,20+,21+,23+,24-,25-,26-,27+,29-,30+,31+,32+,33-,34?/m0/s1
SMILES CC(=O)O[C@H]1[C@@H](OC(C)=O)C2(C)[C@H](OC(=O)C(C)C)OC[C@]3([C@H]4C(=O)[C@H](O)[C@@]5(C)[C@H](c6ccoc6)C[C@H]6O[C@]65[C@]4(C)[C@H](O)C[C@@H]23)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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