input word = C00046294

Metabolite InformationStructural formula
Name Petrotetrayndiol E
Formula C46H70O2
Mw 654.53758148
CAS RN 322727-15-1
C_ID C00046294 ,
InChIKey TXYZIRSIJCTANA-SZFXHNDONA-N
InChICode InChI=1S/C46H70O2/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/h1-2,21-22,27-28,34,37,39,42,45-48H,5-20,23-26,29-33,35-36,38H2/b22-21-,28-27+,37-34+,42-39+/t45-,46-/m1/s1
SMILES C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Petrosia sp. Ref.
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OrganismPetrosia sp.
ReferenceLim,J.Nat.Prod.,64,(2001),46