input word = C00050986

Metabolite InformationStructural formula
Name Isoramanone
Formula C21H32O4
Mw 348.23005951
CAS RN 4644-99-9
C_ID C00050986
InChIKey NWFNMRFBJUONKD-GEBFTSIDNA-N
InChICode InChI=1S/C21H32O4/c1-12(22)15-7-9-21(25)16-5-4-13-10-14(23)6-8-19(13,2)17(16)11-18(24)20(15,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16+,17-,18+,19-,20-,21-/m0/s1
SMILES CC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMetaplexis japonica Ref.
PlantaeRanunculaceaeAdonis amurensis Ref.
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OrganismAdonis amurensis
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979)