input word = C00049739

Metabolite InformationStructural formula
Name Quadrangularin A
(-)-Quadrangularin A
Formula C28H22O6
Mw 454.14163844
CAS RN 252557-25-8
C_ID C00049739 ,
InChIKey BIQMSWPBPAKGSE-RPCHAVGNNA-N
InChICode InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9-/t26-,27+/m0/s1
SMILES Oc1ccc(/C=C2/c3cc(O)cc(O)c3[C@H](c3ccc(O)cc3)[C@H]2c2cc(O)cc(O)c2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeCissus quadrangularis Ref.
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis betulifolia Ref.
PlantaeVitaceaeVitis chunganensis Ref.
PlantaeVitaceaeVitis coignetiae Ref.
PlantaeVitaceaeVitis heyneana Ref.
PlantaeVitaceaeVitis thunbergii Ref.
PlantaeVitaceaeVitis vinifera Ref.
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