input word = C00032065

Metabolite InformationStructural formula
Name Neolancerin
Formula C19H18O10
Mw 406.0899968
CAS RN 117221-65-5
C_ID C00032065 ,
InChIKey KRCBALDMBZQTIQ-BPWBSPMRNA-N
InChICode InChI=1S/C19H18O10/c20-5-11-15(24)17(26)18(27)19(29-11)12-8(22)4-10-13(16(12)25)14(23)7-3-6(21)1-2-9(7)28-10/h1-4,11,15,17-22,24-27H,5H2/t11-,15-,17+,18-,19+/m1/s1
SMILES c12c(cc(c(c1O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)oc1c(c2=O)cc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum sampsonii Ref.
PlantaePolygalaceaePolygala caudata Ref.
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OrganismPolygala caudata
ReferenceLi,Phytochem.,51,(1999),953