input word = C00042257

Metabolite InformationStructural formula
Name Australin B
(-)-Australin B
Formula C26H42O7
Mw 466.2930537
CAS RN 863638-10-2
C_ID C00042257 ,
InChIKey MOLHYXXXUDUQTC-DXAJKRSFNA-N
InChICode InChI=1S/C26H42O7/c1-8-9-20(28)32-25(7)13-10-18(15(2)3)21-22(25)26(30)14-16(4)19(31-17(5)27)11-12-24(6,29)23(21)33-26/h15,18-19,21-23,29-30H,4,8-14H2,1-3,5-7H3/t18-,19+,21-,22-,23-,24-,25-,26-/m1/s1
SMILES [C@@H]1(CC[C@]([C@H]2[C@H]3[C@@H]([C@](CC1=C)(O)O2)[C@](CC[C@@H]3C(C)C)(C)OC(=O)CCC)(O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cladiella australis Ref.
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OrganismCladiella australis
ReferenceAhmed,J.Nat.Prod.,68,(2005),1051