input word = C00050242

Metabolite InformationStructural formula
Name Swinhosterol C
(-)-Swinhosterol C
Formula C31H52O2
Mw 456.3967309
CAS RN 186313-00-8
C_ID C00050242 ,
InChIKey YDFAHFSQGNVKOA-YPPBGRNPNA-N
InChICode InChI=1S/C31H52O2/c1-9-22(19(2)3)11-10-20(4)23-12-13-24-29-25(14-16-30(23,24)6)31(7)17-15-27(32)21(5)26(31)18-28(29)33-8/h19-20,22-23,25-28,32H,5,9-18H2,1-4,6-8H3/t20-,22+,23-,25+,26+,27+,28-,30-,31-/m1/s1
SMILES C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](OC)C1=C3CCC([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12
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