input word = C00010479

Metabolite InformationStructural formula
Name Calycinoside
Formula C21H32O16
Mw 540.16903498
CAS RN 75005-96-8
C_ID C00010479 ,
InChIKey FHLMLGHLRLFHDS-PKLCOVOZNA-N
InChICode InChI=1S/C21H32O16/c22-3-6-8(25)10(27)12(29)17(33-6)35-19-14-20(1-2-32-19,15(31)16-21(14,5-24)36-16)37-18-13(30)11(28)9(26)7(4-23)34-18/h1-2,6-19,22-31H,3-5H2/t6-,7-,8-,9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1
SMILES [C@]12([C@H]([C@@H](OC=C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[C@@]1([C@H]([C@H]2O)O1)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeAntirrhinum orontium Ref.
PlantaePlantaginaceaeMisopates orontium Ref.
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