input word = C00047105

Metabolite InformationStructural formula
Name Theonellasterol
Formula C30H50O
Mw 426.38616622
CAS RN 76758-19-5
C_ID C00047105 ,
InChIKey CVZFQTIJNREPCP-CPBIDSOXNA-N
InChICode InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-20,22,24-25,27-28,31H,5,8-18H2,1-4,6-7H3/t20-,22+,24-,25+,27+,28+,29-,30+/m1/s1
SMILES C1[C@@H](C(=C)[C@H]2[C@](C1)([C@@H]1C(=C3[C@](CC1)([C@H](CC3)[C@@H](CC[C@H](CC)C(C)C)C)C)CC2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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OrganismTheonella swinhoei
ReferenceQureshi,J.Nat.Prod.,63,(2000),841