input word = C00051087

Metabolite InformationStructural formula
Name Junosmarin
Campestrol
Formula C19H22O6
Mw 346.14163844
CAS RN 85165-97-5
C_ID C00051087
InChIKey GWZZKJQYTUFZHD-PWQNQZOANA-N
InChICode InChI=1S/C19H22O6/c1-10(2)9-14(21)24-18-16(22)15-12(25-19(18,3)4)7-5-11-6-8-13(20)23-17(11)15/h5-8,10,16,18,22H,9H2,1-4H3/t16-,18+/m0/s1
SMILES CC(C)CC(=O)O[C@@H]1[C@@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeNigella sativa Ref.
PlantaeRutaceaeCitrus junos Ref.
PlantaeRutaceaeCitrus medica var.etrog Ref.
PlantaeRutaceaeCitrus tachibana Ref.
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OrganismNigella sativa
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.