input word = C00049828

Metabolite InformationStructural formula
Name Petroformyne 1
Formula C46H68O3
Mw 668.51684604
CAS RN 124739-43-1
C_ID C00049828 ,
InChIKey JMDLXSJNUCOOQN-KRECXNKNNA-N
InChICode InChI=1S/C46H68O3/c1-3-44(47)40-36-32-28-24-20-16-12-10-8-6-5-7-9-11-13-18-22-26-30-34-38-42-46(49)43-39-35-31-27-23-19-15-14-17-21-25-29-33-37-41-45(48)4-2/h1-2,13,15,18-19,30,34,36-37,40-41,44-49H,5-12,14,16-17,20-29,31-33,35H2/b18-13+,19-15+,34-30+,40-36+,41-37+/t44-,45-,46-/m0/s1
SMILES C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Petrosia ficiformis Ref.
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OrganismPetrosia ficiformis
ReferenceGuo,J.Nat.Prod.,61,(1998),333