input word = C00011707

Metabolite InformationStructural formula
Name Pittosporanoside B3
Formula C28H44O7
Mw 492.30870376
CAS RN 126654-60-2
C_ID C00011707 ,
InChIKey COMHCGXHNIPZAB-WBIJPPCENA-N
InChICode InChI=1S/C28H44O7/c1-16(2)14-24(30)35-26-25(31)20(7)32-28(27(26)33-21(8)29)34-23-15-19(6)11-9-10-18(5)12-13-22(23)17(3)4/h10,14-15,17,20,22-23,25-28,31H,9,11-13H2,1-8H3/b18-10+,19-15+/t20-,22-,23-,25-,26-,27+,28-/m0/s1
SMILES C1C/C(=C/[C@@H]([C@@H](CC/C(=C/1)/C)C(C)C)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)OC(=O)C=C(C)C)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePittosporaceaePittosporum tobira Ref.
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OrganismPittosporum tobira
ReferenceNozaki,Chem. Lett.,(1990),219