input word = C00036706

Metabolite InformationStructural formula
Name Alborosin
Formula C25H38O3
Mw 386.28209508
CAS RN 277302-20-2
C_ID C00036706 ,
InChIKey AWPHMVTYYBNUDK-KURJXRJYNA-N
InChICode InChI=1S/C25H38O3/c1-14(2)24-21-11-22(27)20(12-25(21,6)13-23(24)28)16(4)7-9-18-15(3)8-10-19(18)17(5)26/h10,14-16,18,20-21,24H,7-9,11-13H2,1-6H3/t15-,16-,18-,20-,21+,24-,25+/m1/s1
SMILES [C@H]1(C(=O)C[C@@H]2[C@@](C1)(CC(=O)[C@@H]2C(C)C)C)[C@@H](CC[C@H]1C(=CC[C@H]1C)C(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentianella alborosea Ref.
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OrganismGentianella alborosea
ReferenceKawahara,Phytochem.,53,(2000),881