input word = C00049002

Metabolite InformationStructural formula
Name Methyl 3alpha-hydroxy-3-deoxyangolensate
Formula C27H36O7
Mw 472.2461035
CAS RN 30300-36-8
C_ID C00049002 ,
InChIKey QFRUZVNPYYYLAN-UHFFFAOYNA-N
InChICode InChI=1S/C27H36O7/c1-15-17-7-9-25(4)23(16-8-10-32-14-16)33-22(30)13-27(15,25)34-20-12-19(28)24(2,3)18(26(17,20)5)11-21(29)31-6/h8,10,14,17-20,23,28H,1,7,9,11-13H2,2-6H3/t17-,18-,19-,20-,23-,25-,26+,27-/m1/s1
SMILES [C@@H]12[C@@]([C@@H]3CC[C@]4([C@@](O1)(CC(=O)O[C@@H]4c1ccoc1)C3=C)C)([C@@H](C([C@@H](C2)O)(C)C)CC(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeEkebergia capensis Ref.
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