input word = C00048795

Metabolite InformationStructural formula
Name Nebrosteroid E
(+)-Nebrosteroid E
Formula C29H48O3
Mw 444.3603454
CAS RN 1122463-38-0
C_ID C00048795 ,
InChIKey ZSDKIQPSLDRFPQ-ZHMOBLGDNA-N
InChICode InChI=1S/C29H48O3/c1-17(2)18(3)8-9-19(4)21-10-11-25-28(21,7)16-24(31)26-27(6)14-13-23(30)20(5)22(27)12-15-29(25,26)32/h8-9,17,19-26,30-32H,3,10-16H2,1-2,4-7H3/b9-8-/t19-,20-,21+,22-,23-,24-,25+,26+,27-,28+,29+/m0/s1
SMILES C1[C@@H]([C@H]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@H]2[C@](C[C@@H]1O)([C@H](CC2)[C@H](/C=C\C(=C)C(C)C)C)C)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea chabroli Ref.
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OrganismNephthea chabroli
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165