input word = C00035554

Metabolite InformationStructural formula
Name Capitellataquinone B
(+)-Capitellataquinone B
Formula C20H18O7
Mw 370.10525293
CAS RN 861664-62-2
C_ID C00035554 ,
InChIKey PDGGEMXVDWVFTE-UHFFFAOYNA-N
InChICode InChI=1S/C20H18O7/c1-20(2,26)19-17(25)14-13-10(6-8(7-21)18(14)27-19)16(24)12-9(15(13)23)4-3-5-11(12)22/h3-6,17,19,21-22,25-26H,7H2,1-2H3/t17-,19-/m0/s1
SMILES C1(=O)c2c(C(=O)c3c1cc(c1c3[C@@H]([C@H](O1)C(C)(O)C)O)CO)cccc2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeHedyotis capitellata Ref.
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OrganismHedyotis capitellata
ReferenceAhmad,Phytochem.,66,(2005),1141