input word = C00046552

Metabolite InformationStructural formula
Name 12-Deacetylhyrtial
Formula C24H38O2
Mw 358.28718046
CAS RN 131711-36-9
C_ID C00046552 ,
InChIKey YJHVGMSCPWBUDS-IBXCPPBSNA-N
InChICode InChI=1S/C24H38O2/c1-21(2)10-6-11-22(3)17(21)9-12-23(4)18-8-7-16(15-25)14-24(18,5)20(26)13-19(22)23/h7,15,17-20,26H,6,8-14H2,1-5H3/t17-,18-,19+,20+,22-,23-,24+/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@H]2[C@]([C@@H](C1)O)(CC(=CC2)C=O)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hyrtios erectus Ref.
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