input word = C00049508

Metabolite InformationStructural formula
Name Pellynol G
Formula C33H52O4
Mw 512.38656015
CAS RN 245726-38-9
C_ID C00049508 ,
InChIKey LRMMCRCPANPZAG-FQHZWJPGNA-N
InChICode InChI=1S/C33H52O4/c1-2-31(35)25-19-14-10-7-5-3-4-6-8-11-15-20-26-32(36)27-21-16-12-9-13-17-22-28-33(37)29-23-18-24-30-34/h1,19-20,25-26,31-37H,3-17,21-22,27-28,30H2/b25-19+,26-20+/t31-,32+,33+/m1/s1
SMILES C#CC(O)/C=C/CCCCCCCCCC/C=C/C(O)CCCCCCCCCC(O)C#CC#CCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Theonella sp. Ref.
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