input word = C00046880

Metabolite InformationStructural formula
Name Rosololactone
Formula C20H30O3
Mw 318.21949482
CAS RN 4701-80-8
C_ID C00046880 ,
InChIKey SENSIMJVWLUBIY-QZMNRILINA-N
InChICode InChI=1S/C20H30O3/c1-5-17(2)9-10-19(4)13(12-17)11-14(21)15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13-15,21H,1,6-12H2,2-4H3/t13-,14-,15+,17-,18+,19-,20-/m1/s1
SMILES C1[C@](C[C@@H]2[C@@](C1)([C@]13[C@@H]([C@@H](C2)O)[C@](CCC1)(C(=O)O3)C)C)(C=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHolarrhena floribunda Ref.
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OrganismHolarrhena floribunda
ReferenceLoukaci,J.Nat.Prod.,63,(2000),52