input word = C00010561

Metabolite InformationStructural formula
Name [3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Formula C16H26O9
Mw 362.15768243
CAS RN 110309-33-6
C_ID C00010561 ,
InChIKey ZRGFNHKLBRKEOZ-RGZOXUHBNA-N
InChICode InChI=1S/C16H26O9/c1-6-2-9-11(7(6)3-17)8(15(22)24-9)5-23-16-14(21)13(20)12(19)10(4-18)25-16/h6-14,16-21H,2-5H2,1H3/t6-,7+,8-,9-,10+,11-,12+,13-,14+,16+/m0/s1
SMILES C[C@H]1C[C@@H]2OC(=O)[C@@H](CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H]2[C@@H]1CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium sempervirens Ref.
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OrganismGelsemium sempervirens
ReferenceJensen,Phytochem.,26,(1987),1725