input word = C00050240

Metabolite InformationStructural formula
Name Swinhosterol A
(-)-Swinhosterol A
Formula C30H50O3
Mw 458.37599546
CAS RN 186312-98-1
C_ID C00050240 ,
InChIKey GBSGIDZKDVEYCC-OWVVCGJENA-N
InChICode InChI=1S/C30H50O3/c1-8-22(19(2)3)10-9-20(4)23-12-14-28(33)30(23,7)17-15-25-27(32)13-11-24-21(5)26(31)16-18-29(24,25)6/h19-20,22-26,31H,5,8-18H2,1-4,6-7H3/t20-,22+,23-,24+,25+,26+,29-,30-/m1/s1
SMILES C1(=O)CC[C@@H]2[C@]([C@H]1CC[C@]1(C(=O)CC[C@@H]1[C@@H](CC[C@@H](C(C)C)CC)C)C)(CC[C@@H](C2=C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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OrganismTheonella swinhoei
ReferenceUmeyama,J.Nat.Prod.,60,(1997),296