input word = C00031339

Metabolite InformationStructural formula
Name Secologanin dimethyl acetal
(-)-Secologanin dimethyl acetal
Formula C19H30O11
Mw 434.1788118
CAS RN 77988-07-9
C_ID C00031339 ,
InChIKey HUVIXLWRQSMCLN-MQPCNNKKNA-N
InChICode InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@@H](C(=CO1)C(=O)OC)CC(OC)OC)C=C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera japonica Thunb. Ref.
PlantaeHydrangeaceaeHydrangea macrophylla subsp.serrata (Thunb.) Makino Ref.
PlantaeLonganiaceaeStrychnos spinosa Ref.
PlantaeRubiaceaeAdina racemosa Ref.
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