input word = C00031346

Metabolite InformationStructural formula
Name Secoxyloganin
Formula C17H24O11
Mw 404.13186161
CAS RN 58822-47-2
C_ID C00031346 ,
InChIKey MQLSOVRLZHTATK-XOLCEIAKNA-N
InChICode InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/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(=O)O)C=C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
Plantae--Lonicera japonica Ref.
PlantaeApocynaceaeRauwolfia serpentina Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeGentianaceaeGentiana rhodantha Ref.
PlantaeLoasaceaeLoasa acerifolia Ref.
PlantaeLonganiaceaeStrychnos lucida Ref.
PlantaeLonganiaceaeStrychnos spinosa Ref.
PlantaeRubiaceaeAdina racemosa Ref.
PlantaeRubiaceaeCalycophyllum spruceanum Ref.
PlantaeRubiaceaeMorinda coreia Ref.
PlantaeRubiaceaeSinoadina racemosa Ref.
PlantaeVerbenaceaeLippia graveolens Ref.
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