input word = C00031605

Metabolite InformationStructural formula
Name Aquillochin
Cleomiscosin C
Formula C21H20O9
Mw 416.11073224
CAS RN 84575-10-0
C_ID C00031605 ,
InChIKey GZXPCBAETDEQAX-YKHWREDPNA-N
InChICode InChI=1S/C21H20O9/c1-25-12-7-11(8-13(26-2)17(12)24)18-15(9-22)28-21-19-10(4-5-16(23)29-19)6-14(27-3)20(21)30-18/h4-8,15,18,22,24H,9H2,1-3H3/t15-,18-/m1/s1
SMILES c1(=O)ccc2c(o1)c1c(c(c2)OC)O[C@@H]([C@H](O1)CO)c1cc(c(c(c1)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia minor Ref.
PlantaeEricaceaeRhododendron collettianum Ref.
PlantaeHydrangeaceaePileostegia viburnoides var. glabrescens Ref.
PlantaeMalvaceaeHibiscus syriacus Ref.
PlantaeMalvaceaeHibiscus taiwanensis Ref.
PlantaeSapindaceaeAcer nikoense Ref.
--Aceraceae nikoense Ref.
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OrganismHibiscus taiwanensis
ReferenceWu,Chem.Pharm.Bull.,53,(2005),56