input word = C00048792

Metabolite InformationStructural formula
Name Nebrosteroid B
(+)-Nebrosteroid B
Formula C31H50O5
Mw 502.36582471
CAS RN 1122463-31-3
C_ID C00048792 ,
InChIKey KCBULQZYCNMCRF-MTGFVXSHNA-N
InChICode InChI=1S/C31H50O5/c1-17(2)19(4)24(33)15-18(3)22-9-10-27-30(22,8)16-25(34)28-29(7)13-12-26(36-21(6)32)20(5)23(29)11-14-31(27,28)35/h17-18,20,22-23,25-28,34-35H,4,9-16H2,1-3,5-8H3/t18-,20+,22-,23+,25+,26+,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@](C[C@@H]1O)([C@H](CC2)[C@@H](CC(=O)C(=C)C(C)C)C)C)O)C)C)OC(=O)C
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