input word = C00054288

Metabolite InformationStructural formula
Name Chloromarmin
Formula C19H23ClO4
Mw 350.12848693
CAS RN 169869-82-3
C_ID C00054288
InChIKey LJKOFXGMGDOURN-JIIJFUIFSA-N
InChICode InChI=1S/C19H23ClO4/c1-13(4-8-17(21)19(2,3)20)10-11-23-15-7-5-14-6-9-18(22)24-16(14)12-15/h5-7,9-10,12,17,21H,4,8,11H2,1-3H3/b13-10+/t17-/m1/s1
SMILES CC(Cl)(C)[C@H](O)CC/C(C)=C/COC1=CC(OC(C=C2)=O)=C2C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAegle marmelos Ref.
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