input word = C00000892

Metabolite InformationStructural formula
Name Rosenonolactone
Formula C20H28O3
Mw 316.20384476
CAS RN 508-71-4
C_ID C00000892 ,
InChIKey HWECMADGHQKSLK-LWJAUXMENA-N
InChICode InChI=1S/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3/t13-,15-,17+,18-,19+,20+/m0/s1
SMILES C1C[C@]2([C@H]3[C@](C1)([C@]1([C@H](C(=O)C3)C[C@@](CC1)(C=C)C)C)OC2=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisTrichothecium roseum Ref.
PlantaeApocynaceaeHolarrhena floribunda Ref.
PlantaeVerbenaceaeDuranta repens Ref.
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OrganismDuranta repens
ReferenceAnis,Chem.Pharm.Bull.,50,(2002),515