input word = C00046296

Metabolite InformationStructural formula
Name Petrotetraynol A
Formula C46H68O2
Mw 652.52193141
CAS RN 322727-17-3
C_ID C00046296 ,
InChIKey DMQUNPURHZALBF-DOBIKWPINA-N
InChICode InChI=1S/C46H68O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-37-40-43-46(48)44-41-38-35-32-31-33-36-39-42-45(47)4-2/h1-2,5-6,21-22,27-28,39,42,45,47H,7-20,23-26,29-38H2/b6-5-,22-21-,28-27-,42-39+/t45-/m1/s1
SMILES C#C/C=CCCCCCCCCCCCCCC/C=CCCCC/C=CCCCCC#CC(=O)C#CCCCCCC/C=C/[C@H](O)C#C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Petrosia sp. Ref.
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