input word = C00042991

Metabolite InformationStructural formula
Name Secologanoside dimethyl ester
Formula C18H26O11
Mw 418.14751167
CAS RN 74713-15-8
C_ID C00042991 ,
InChIKey MPCHHOVJEMEKKG-GQXLCABSNA-N
InChICode InChI=1S/C18H26O11/c1-4-8-9(5-12(20)25-2)10(16(24)26-3)7-27-17(8)29-18-15(23)14(22)13(21)11(6-19)28-18/h4,7-9,11,13-15,17-19,21-23H,1,5-6H2,2-3H3/t8-,9+,11-,13-,14+,15-,17+,18+/m1/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos spinosa Ref.
PlantaeRubiaceaeAdina racemosa Ref.
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