input word = C00010795

Metabolite InformationStructural formula
Name Amaropanin
Formula C29H30O12
Mw 570.17372642
CAS RN 52811-25-3
C_ID C00010795 ,
InChIKey KOVJNHVDYMZQCP-QYCVRRPSNA-N
InChICode InChI=1S/C29H30O12/c1-2-16-18-9-10-37-26(35)19(18)13-38-28(16)41-29-25(24(34)23(33)21(12-30)39-29)40-27(36)22-17(7-4-8-20(22)32)14-5-3-6-15(31)11-14/h2-8,11,13,16,18,21,23-25,28-34H,1,9-10,12H2/t16-,18-,21-,23-,24+,25+,28+,29+/m1/s1
SMILES [C@H]1(O[C@@H]([C@H]([C@@H]([C@@H]1OC(=O)c1c(cccc1c1cccc(c1)O)O)O)O)CO)O[C@@H]1OC=C2C(=O)OCC[C@@H]2[C@H]1C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana pannonica Ref.
PlantaeGentianaceaeGentiana panonica Ref.
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OrganismGentiana panonica
ReferenceWagner,Phytochem.,13,(1974),615