input word = C00057033

Metabolite InformationStructural formula
Name Neohancoside A
Formula C21H36O10
Mw 448.23084737
CAS RN 134553-54-1
C_ID C00057033
InChIKey OKNPZRJNRSGKME-ZKRIFWAISA-N
InChICode InChI=1S/C21H36O10/c1-5-21(4,8-6-7-11(2)3)31-20-18(27)16(25)15(24)13(30-20)10-29-19-17(26)14(23)12(22)9-28-19/h5,7,12-20,22-27H,1,6,8-10H2,2-4H3/t12-,13-,14+,15-,16+,17-,18-,19+,20+,21+/m1/s1
SMILES C=C[C@@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. sinensis Ref.
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