input word = C00024095

Metabolite InformationStructural formula
Name Secomahoganin
Formula C29H36O9
Mw 528.23593275
CAS RN 123941-65-1
C_ID C00024095 ,
InChIKey PTLZHOLOQAFTMS-LVHHBHFINA-N
InChICode InChI=1S/C29H36O9/c1-16(30)36-15-19-25(2,3)20(31)9-11-26(19,4)18-8-12-27(5)21(17-10-13-35-14-17)37-23(32)22-29(27,38-22)28(18,6)24(33)34-7/h9-11,13-14,18-19,21-22H,8,12,15H2,1-7H3/t18-,19-,21+,22-,26-,27+,28+,29-/m1/s1
SMILES COC(=O)[C@]1(C)[C@@H]([C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2COC(C)=O)CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia macrophylla Ref.
PlantaeMeliaceaeSwietenia mahagoni JACQ. Ref.
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