input word = C00047535

Metabolite InformationStructural formula
Name Pestalotiopsone C
Formula C18H22O5
Mw 318.14672381
CAS RN 1139802-07-5
C_ID C00047535 ,
InChIKey FWRNQJDZBAYORW-UHFFFAOYSA-N
InChICode InChI=1S/C18H22O5/c1-2-3-4-5-6-7-14-11-15(20)18-12(9-17(21)22)8-13(19)10-16(18)23-14/h8,10-11,19H,2-7,9H2,1H3,(H,21,22)
SMILES c1(cc(c2c(c1)oc(cc2=O)CCCCCCC)CC(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeRhizophora mucronata Ref.
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