input word = C00052300

Metabolite InformationStructural formula
Name Gravacridontriol
Formula C19H19NO6
Mw 357.12123735
CAS RN 59086-94-1
C_ID C00052300
InChIKey GJDBWKOONRHBIM-UHFFFAOYSA-N
InChICode InChI=1S/C19H19NO6/c1-20-12-5-3-2-4-10(12)18(24)16-13(23)7-14-11(17(16)20)6-15(26-14)19(25,8-21)9-22/h2-5,7,15,21-23,25H,6,8-9H2,1H3
SMILES O=C1C2=CC=CC=C2N(C)C3=C(CC(C(CO)(O)CO)O4)C4=CC(O)=C13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
PlantaeRutaceaeThamnosma montana Ref.
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