input word = C00003070

Metabolite InformationStructural formula
Name Amarogentin
Formula C29H30O13
Mw 586.16864105
CAS RN 21018-84-8
C_ID C00003070 ,
InChIKey DBOVHQOUSDWAPQ-WSJAETEINA-N
InChICode InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17-,21+,23+,24-,25+,28-,29-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1OC=C2[C@H]([C@@H]1C=C)CCOC2=O)OC(=O)c1c(cc(cc1O)O)c1cccc(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana lutea Ref.
PlantaeGentianaceaeGentiana sp. Ref.
PlantaeGentianaceaeSwertia japonica Ref.
PlantaeGentianaceaeSwertia spp. Ref.
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OrganismSwertia japonica
ReferenceInoue,Tetrahedron,27,(1971),1951

Inoue,Tetrahedron,30,(1974),571