input word = C00049417

Metabolite InformationStructural formula
Name 6-Deoxy-9alpha-hydroxycedrodorin
Formula C27H34O9
Mw 502.22028269
CAS RN 247036-52-8
C_ID C00049417 ,
InChIKey DRIQPOSLYIEZJT-UHFFFAOYNA-N
InChICode InChI=1S/C27H34O9/c1-22(2)16(10-17(28)33-5)24(4)19(30)15-11-27(36-21(15)22)25(24,31)8-7-23(3)20(14-6-9-34-13-14)35-18(29)12-26(23,27)32/h6,9,13,15-16,20-21,31-32H,7-8,10-12H2,1-5H3/t15-,16+,20+,21-,23+,24-,25-,26-,27+/m0/s1
SMILES [C@@H]12C([C@H]([C@@]3([C@@]4([C@](C[C@H]1C3=O)([C@]1([C@](CC4)([C@H](OC(=O)C1)c1ccoc1)C)O)O2)O)C)CC(=O)OC)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCedrela odorata Ref.
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