input word = C00002984

Metabolite InformationStructural formula
Name Cleomiscosin A
Formula C20H18O8
Mw 386.10016755
CAS RN 76948-72-6
C_ID C00002984 ,
InChIKey OCBGWPJNUZMLCA-OLKMYRHANA-N
InChICode InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-20-18-11(4-6-16(23)27-18)8-14(25-2)19(20)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1
SMILES c1(c2c(c3c(c1)ccc(=O)o3)O[C@@H]([C@H](O2)c1cc(c(cc1)O)OC)CO)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCleome icosandra Ref.
PlantaeConvolvulaceaeErycibe obtusifolia Ref.
PlantaeEricaceaeRhododendron collettianum Ref.
PlantaeEuphorbiaceaeJatropha multifida Ref.
PlantaeMalvaceaeHibiscus syriacus Ref.
PlantaeMalvaceaeHibiscus taiwanensis Ref.
PlantaeSapindaceaeMatayba arborescens Ref.
PlantaeSimaroubaceaeSimaba multiflora Ref.
PlantaeSimaroubaceaeSoulamea soulameoides Ref.
PlantaeSolanaceaeHyoscyamus niger L. Ref.
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