input word = C00038796

Metabolite InformationStructural formula
Name Clathsterol
(+)-Clathsterol
Formula C38H66O15S2
Mw 826.3843129
CAS RN 377080-84-7
C_ID C00038796 ,
InChIKey QZCHAQYTIIGVHJ-QHXQVFLENA-N
InChICode InChI=1S/C39H66O15S2/c1-10-13-30(41)51-35(36(25(12-3)21(4)5)52-31(42)14-11-2)22(6)32-34(43)37(50-23(7)40)33-26-16-15-24-19-28(53-55(44,45)46)29(54-56(47,48)49)20-39(24,9)27(26)17-18-38(32,33)8/h21-22,24-29,32-37,43H,10-20H2,1-9H3,(H,44,45,46)(H,47,48,49)/t22-,24-,25-,26+,27-,28+,29+,32-,33+,34+,35-,36-,37+,38+,39-/m0/s1
SMILES [C@@H]1([C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H]([C@H]([C@@H]2OC(=O)C)O)[C@@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](CC)C(C)C)C)C)C)OS(=O)(=O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaMicrocionidaeClathria sp. Ref.
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OrganismClathria sp.
ReferenceNakao,J.Nat.Prod.,70,(2007),689