input word = C00034762

Metabolite InformationStructural formula
Name 2-Hydroxy-3-O-tigloylswietenolide
Formula C32H40O10
Mw 584.2621475
CAS RN 878556-47-9
C_ID C00034762 ,
InChIKey BEPQSACHIBDHIF-OEHSAILDNA-N
InChICode InChI=1S/C32H40O10/c1-8-16(2)25(35)42-28-29(3,4)23(22(34)26(36)39-7)31(6)19-9-11-30(5)20(18(19)14-32(28,38)27(31)37)13-21(33)41-24(30)17-10-12-40-15-17/h8,10,12,15,19,22-24,28,34,38H,9,11,13-14H2,1-7H3/b16-8+/t19-,22+,23-,24-,28-,30+,31+,32-/m0/s1
SMILES [C@@H]1(C([C@@H]([C@]2([C@@H]3C(=C4[C@@](CC3)([C@@H](OC(=O)C4)c3ccoc3)C)C[C@@]1(C2=O)O)C)[C@@H](O)C(=O)OC)(C)C)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia mahogani Ref.
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