input word = C00024080

Metabolite InformationStructural formula
Name Foetidinol
Formula C27H40O5
Mw 444.28757439
CAS RN 158204-38-7
C_ID C00024080 ,
InChIKey NYANQAGYZSJBHG-VSYGWIHWNA-N
InChICode InChI=1S/C27H40O5/c1-14-10-15(28)21(31)27(32)12-24(5)17-7-6-16-22(2,3)18(29)8-9-25(16)13-26(17,25)19(30)11-23(24,4)20(14)27/h7,14,16,18-21,29-32H,6,8-13H2,1-5H3/t14-,16+,18+,19+,20-,21+,23-,24+,25-,26+,27-/m1/s1
SMILES C[C@@H]1CC(=O)[C@H](O)[C@@]2(O)C[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46[C@@H](O)C[C@]3(C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga foetida L. Ref.
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