input word = C00034978

Metabolite InformationStructural formula
Name Secologanic acid
Formula C16H22O10
Mw 374.12129692
CAS RN 22864-93-3
C_ID C00034978 ,
InChIKey PUEUIRDVQIKCCG-SSAXBHGANA-N
InChICode InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalyceraceaeAcicarpha tribuloides Ref.
PlantaeLonganiaceaeStrychnos spinosa Ref.
PlantaeOleaceaeFontanesia fortunei Carr. Ref.
PlantaeOleaceaeFontanesia phillyreoides Labill. Ref.
PlantaeRubiaceaeAdina racemosa Ref.
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OrganismFontanesia fortunei Carr.
ReferenceJensen,Phytochem.,60,(2002),213