input word = C00010798

Metabolite InformationStructural formula
Name Amaroswerin
Formula C29H30O14
Mw 602.16355567
CAS RN 21233-18-1
C_ID C00010798 ,
InChIKey UZYZCCWBBBCDAD-CZALVGPRNA-N
InChICode InChI=1S/C29H30O14/c1-2-17-27(40-12-18-25(36)39-7-6-29(17,18)38)43-28-24(23(35)22(34)20(11-30)41-28)42-26(37)21-16(9-15(32)10-19(21)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,17,20,22-24,27-28,30-35,38H,1,6-7,11H2/t17-,20+,22+,23-,24+,27-,28-,29+/m0/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2OC(=O)c2c(O)cc(O)cc2-c2cccc(O)c2)OC=C2C(=O)OCC[C@]21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana lutea L. Ref.
PlantaeGentianaceaeGentiana panonica Ref.
PlantaeGentianaceaeGentiana sp. Ref.
PlantaeGentianaceaeSwertia japonica Ref.
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OrganismGentiana sp.
ReferenceInoue,Tetrahedron,27,(1971),1951