input word = C00031077

Metabolite InformationStructural formula
Name Praelolide
(-)-Praelolide
Formula C28H35ClO12
Mw 598.18170429
CAS RN 86425-67-4
C_ID C00031077 ,
InChIKey VPXKDKFGKRSWEO-SODWMJMGNA-N
InChICode InChI=1S/C28H35ClO12/c1-11-18(29)22-28(12(2)25(34)40-22)24(39-16(6)33)21-26(7,17(36-13(3)30)8-9-27(21)10-35-27)23(38-15(5)32)20(19(11)41-28)37-14(4)31/h12,17-24H,1,8-10H2,2-7H3/t12-,17-,18-,19-,20+,21+,22-,23-,24-,26-,27-,28-/m0/s1
SMILES C1C[C@@]2([C@H]3[C@]([C@H]1OC(=O)C)([C@H]([C@@H]([C@@H]1C(=C)[C@@H]([C@H]4[C@]([C@H]3OC(=O)C)([C@H](C(=O)O4)C)O1)Cl)OC(=O)C)OC(=O)C)C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Gorgonella umbraculum Ref.
--Junceella fragilis Ref.
--Junceella juncea Ref.
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OrganismJunceella fragilis
ReferenceSung,Chem.Pharm.Bull.,51,(2003),1429