input word = C00050597

Metabolite InformationStructural formula
Name Gravacridonediol
Gravacridondiol
Formula C19H19NO5
Mw 341.12632272
CAS RN 37551-75-0
C_ID C00050597
InChIKey RQAGSTDFTGSIGB-UHFFFAOYSA-N
InChICode InChI=1S/C19H19NO5/c1-19(24,9-21)15-7-11-14(25-15)8-13(22)16-17(11)20(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,21-22,24H,7,9H2,1-2H3
SMILES Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(C)(O)CO)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
PlantaeRutaceaeThamnosma montana Ref.
PlantaeRutaceaeThamnosma rhodesica Ref.
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OrganismThamnosma rhodesica
ReferenceNatural Products Vol.1 ISBN978-3-642-22143-9