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 [C@@H]12[C@@H]([C@H]3[C@H](CC[C@@]1(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)C3(C)C)[C@H](CC2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePittosporaceaePittosporum tobira Ref.
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