input word = C00048740

Metabolite InformationStructural formula
Name Iso-pseudopterosin E
Formula C26H38O6
Mw 446.26683895
CAS RN 1046779-95-6
C_ID C00048740 ,
InChIKey KPQRZOMZOFKSLE-SNLOTVFMNA-N
InChICode InChI=1S/C26H38O6/c1-11(2)9-16-10-13(4)17-8-7-12(3)18-20(17)19(16)14(5)21(27)25(18)32-26-24(30)23(29)22(28)15(6)31-26/h9,12-13,15-17,22-24,26-30H,7-8,10H2,1-6H3/t12-,13-,15-,16-,17+,22+,23+,24-,26-/m0/s1
SMILES c12c3c(c(c(c1C)O)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)C)[C@H](CC[C@@H]3[C@H](C[C@@H]2C=C(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudopterogorgia elisabethae Ref.
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OrganismPseudopterogorgia elisabethae
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165