input word = C00038413

Metabolite InformationStructural formula
Name alpha-Alectoronic acid
Formula C28H32O9
Mw 512.20463262
CAS RN 668-80-4
C_ID C00038413 ,
InChIKey ZDIOCINAHISORH-UHFFFAOYSA-N
InChICode InChI=1S/C28H32O9/c1-3-5-7-9-17(29)11-16-12-19(31)14-22-24(16)28(35)37-23-15-21(32)25(27(33)34)20(26(23)36-22)13-18(30)10-8-6-4-2/h12,14-15,31-32H,3-11,13H2,1-2H3,(H,33,34)
SMILES O1c2c(Oc3c(C1=O)c(cc(c3)O)CC(=O)CCCCC)c(c(c(c2)O)C(=O)O)CC(=O)CCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Ochrolechia parella Ref.
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