input word = C00003098

Metabolite InformationStructural formula
Name Secologanin
Formula C17H24O10
Mw 388.13694699
CAS RN 19351-63-4
C_ID C00003098 ,
InChIKey CSKKDSFETGLMSB-OVVPRVIGNA-N
InChICode InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16-,17+/m1/s1
SMILES [C@@H]1([C@H]([C@H](OC=C1C(=O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C=C)CC=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera japonica Thunb. Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera morrowii Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera spp. Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium salviifolium Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeGentianaceaeCentaurium erythraea Ref.
PlantaeLonganiaceaeStrychnos nux-vomica Ref.
PlantaeLonganiaceaeStrychnos spinosa Ref.
PlantaeRubiaceaeAdina racemosa Ref.
PlantaeRubiaceaeCephaelis acuminata Ref.
PlantaeRubiaceaeOphiorrhiza pumila Ref.
PlantaeRubiaceaePsychotria burucana Ref.
PlantaeRubiaceaePsychotria ipecacuanha Ref.
PlantaeRubiaceaePsychotria klugii Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
PlantaeVerbenaceaeLippia graveolens Ref.
--Carapichea affinis Ref.
--Laurencia dendroidea Ref.
--Sertia mussotii Ref.
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OrganismPsychotria burucana
ReferenceN.O.Calixto et al.,J.Braz.Chem.Soc.,27,(2016),1355-1378

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