input word = C00010681

Metabolite InformationStructural formula
Name 9-Hydroxysemperoside
Formula C16H24O10
Mw 376.13694699
CAS RN 110309-28-9
C_ID C00010681 ,
InChIKey YJWIJCDOMFPRSQ-MVHBOVIXNA-N
InChICode InChI=1S/C16H24O10/c1-6-2-7-12-15(6,22)4-23-5-16(12,14(21)25-7)26-13-11(20)10(19)9(18)8(3-17)24-13/h6-13,17-20,22H,2-5H2,1H3/t6-,7-,8+,9+,10+,11-,12-,13-,15-,16-/m0/s1
SMILES [C@@H]12[C@]3([C@H](C[C@@H]1OC(=O)[C@]2(O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)COC3)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium sempervirens Ref.
PlantaeVerbenaceaeVerbena brasiliensis VELL Ref.
PlantaeVerbenaceaeVerbena officinalis Ref.
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OrganismVerbena brasiliensis VELL
ReferenceOno,Chem.Pharm.Bull.,54,(2006),1421