input word = C00015869

Metabolite InformationStructural formula
Name Scirpusin A
Formula C28H22O7
Mw 470.13655306
CAS RN 69297-51-4
C_ID C00015869 ,
InChIKey VJVQHVVOEFJLIO-XONQPWEHNA-N
InChICode InChI=1S/C28H22O7/c29-19-6-2-15(3-7-19)1-4-16-9-22(32)14-25-26(16)27(18-10-20(30)13-21(31)11-18)28(35-25)17-5-8-23(33)24(34)12-17/h1-14,27-34H/b4-1+/t27-,28+/m1/s1
SMILES Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)c(O)c2)O3)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeScirpus fluviatilis Ref.
PlantaeCyperaceaeScirpus maritimus Ref.
PlantaeFabaceaeCaragana tibetica KOM. Ref.
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis arizonica Ref.
PlantaeVitaceaeVitis berlandieri Ref.
PlantaeVitaceaeVitis betulifolia Ref.
PlantaeVitaceaeVitis candicans Ref.
PlantaeVitaceaeVitis champini Ref.
PlantaeVitaceaeVitis chunganensis Ref.
PlantaeVitaceaeVitis cinerea Ref.
PlantaeVitaceaeVitis coignetiae Ref.
PlantaeVitaceaeVitis davidii Ref.
PlantaeVitaceaeVitis doaniana Ref.
PlantaeVitaceaeVitis labrusca Ref.
PlantaeVitaceaeVitis pentagona Ref.
PlantaeVitaceaeVitis riparia Ref.
PlantaeVitaceaeVitis rupestris Ref.
PlantaeVitaceaeVitis thunbergii Ref.
PlantaeVitaceaeVitis vinifera Ref.
--Muscadinia rotundifolia Ref.
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OrganismVitis pentagona
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.