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 C=C1[C@H](Cl)[C@@H]2OC(=O)[C@H](C)C23O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(C)[C@@H](OC(C)=O)CC[C@]2(CO2)[C@@H]1[C@@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Gorgonella umbraculum Ref.
--Junceella fragilis Ref.
--Junceella juncea Ref.
zoom in