input word = C00048793

Metabolite InformationStructural formula
Name Nebrosteroid C
(+)-Nebrosteroid C
Formula C31H50O5
Mw 502.36582471
CAS RN 1122463-33-5
C_ID C00048793 ,
InChIKey RIKGYBSMNNEURX-IKJHWFEGNA-N
InChICode InChI=1S/C31H50O5/c1-18(2)20(4)26(34)16-19(3)23-8-9-28-30(23,17-36-22(6)32)14-12-27-29(7)13-11-25(33)21(5)24(29)10-15-31(27,28)35/h18-19,21,23-25,27-28,33,35H,4,8-17H2,1-3,5-7H3/t19-,21+,23-,24+,25+,27-,28-,29+,30+,31+/m1/s1
SMILES C1[C@@H]([C@H]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@H]2[C@](CC1)([C@H](CC2)[C@@H](CC(=O)C(=C)C(C)C)C)COC(=O)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