input word = C00047537

Metabolite InformationStructural formula
Name Pestalotiopsone E
(+)-Pestalotiopsone E
Formula C20H26O6
Mw 362.17293856
CAS RN 1139802-10-0
C_ID C00047537 ,
InChIKey NRXGHYGIYHFZNK-UHFFFAOYNA-N
InChICode InChI=1S/C20H26O6/c1-3-25-19(24)10-14-9-15(22)11-18-20(14)17(23)12-16(26-18)8-6-4-5-7-13(2)21/h9,11-13,21-22H,3-8,10H2,1-2H3/t13-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)CCCCC[C@@H](C)O)CC(=O)OCC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeRhizophora mucronata Ref.
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OrganismRhizophora mucronata
ReferenceXu,J.Nat.Prod.,72,(2009),662