input word = C00001143

Metabolite InformationStructural formula
Name Neohesperidose
Formula C12H22O10
Mw 326.12129692
CAS RN 17074-02-1
C_ID C00001143 ,
InChIKey VSRVRBXGIRFARR-QVVOTYHANA-N
InChICode InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4-,5-,6+,7-,8-,9+,10+,11+,12-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Citrus Ref.
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OrganismCitrus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter2