input word = C00055490

Metabolite InformationStructural formula
Name Citbrasine
Formula C17H17NO6
Mw 331.10558728
CAS RN 86680-34-4
C_ID C00055490
InChIKey QYPQTPVQPNLXHV-UHFFFAOYSA-N
InChICode InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
SMILES OC1=C(OC)C(OC)=C(OC)C2=C1C(C3=CC=CC(O)=C3N2C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sinensis var. brasiliensis Ref.
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