input word = C00021218

Metabolite InformationStructural formula
Name Pittosporanoside A1
Formula C28H44O7
Mw 492.30870376
CAS RN 104472-69-7
C_ID C00021218 ,
InChIKey AOLXWOJZYPAABO-GLQOSXKINA-N
InChICode InChI=1S/C28H44O7/c1-9-14(2)25(31)34-23-22(30)16(4)32-26(24(23)33-17(5)29)35-28(8)13-12-19-21(27(19,6)7)20-15(3)10-11-18(20)28/h9,15-16,18-24,26,30H,10-13H2,1-8H3/b14-9+/t15-,16+,18+,19-,20-,21+,22-,23-,24+,26-,28+/m0/s1
SMILES CC=C(C)C(=O)O[C@@H]1C(OC(C)=O)[C@H](OC2(C)CCC3C(C4C(C)CCC42)C3(C)C)OC(C)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePittosporaceaePittosporum tobira Ref.
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OrganismPittosporum tobira
ReferenceTakaoka,Chem. Lett.,(1986),1121