input word = C00049830

Metabolite InformationStructural formula
Name Petroformyne 3
Formula C46H70O2
Mw 654.53758148
CAS RN 124739-45-3
C_ID C00049830 ,
InChIKey DXFHRHATAZATAU-FFGPNWJCNA-N
InChICode InChI=1S/C46H70O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-40-43-46(48)44-41-38-35-32-29-26-23-22-24-27-30-33-36-39-42-45(47)4-2/h1-2,21,23,25-26,34,37,39,42,45-48H,5-20,22,24,27-33,35-36,38H2/b25-21+,26-23+,37-34+,42-39+/t45-,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