input word = C00047534

Metabolite InformationStructural formula
Name Pestalotiopsone B
Formula C20H26O5
Mw 346.17802394
CAS RN 1139802-06-4
C_ID C00047534 ,
InChIKey PTBADJJYGVHTHW-UHFFFAOYSA-N
InChICode InChI=1S/C20H26O5/c1-3-5-6-7-8-9-16-13-17(22)20-14(11-19(23)24-4-2)10-15(21)12-18(20)25-16/h10,12-13,21H,3-9,11H2,1-2H3
SMILES c1(cc(c2c(c1)oc(cc2=O)CCCCCCC)CC(=O)OCC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeRhizophora mucronata Ref.
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