input word = C00002913

Metabolite InformationStructural formula
Name Cinchonain Ia
Formula C24H20O9
Mw 452.11073224
CAS RN 85081-24-9
C_ID C00002913 ,
InChIKey LKCOZWLUAKSRQM-XCAFOYTQNA-N
InChICode InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1
SMILES c1c(ccc(c1O)O)[C@H]1CC(=O)Oc2c1c1c(c(c2)O)C[C@H]([C@H](O1)c1cc(c(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanopsis hystrix Ref.
PlantaeMeliaceaeTrichilia catigua Ref.
PlantaePhyllocladaceaePhyllocladus trichomanoides Ref.
PlantaePolygonaceaePolygonum bistorta Ref.
PlantaeRhizophoraceaeKandelia candel Ref.
PlantaeRosaceaeRhaphiolepis umbellata Ref.
PlantaeRubiaceaeCinchona succirubra Ref.
PlantaeRubiaceaeUncaria gambir Ref.
PlantaeRubiaceaeUncaria rhynchophylla Ref.
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