input word = C00045489

Metabolite InformationStructural formula
Name (3S,14R)-Petrocortyne E
Formula C46H70O3
Mw 670.5324961
CAS RN 322727-12-8
C_ID C00045489 ,
InChIKey YDDFBFYVVQPBKW-KTWJPIKQNA-N
InChICode InChI=1S/C46H70O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-30-35-40-45(48)42-37-32-33-38-43-46(49)41-36-31-28-25-24-26-29-34-39-44(47)4-2/h1-2,5-6,21-22,34-35,39-40,44-49H,7-20,23-33,37,42H2/b6-5-,22-21-,39-34+,40-35+/t44-,45+,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