input word = C00011706

Metabolite InformationStructural formula
Name Pittosporanoside B2
Formula C28H44O7
Mw 492.30870376
CAS RN 126654-59-9
C_ID C00011706 ,
InChIKey HZGRDJOFBYDQFL-URJOXYHBNA-N
InChICode InChI=1S/C28H44O7/c1-9-19(6)27(31)35-26-24(30)25(33-21(8)29)20(7)32-28(26)34-23-15-18(5)12-10-11-17(4)13-14-22(23)16(2)3/h9,11,15-16,20,22-26,28,30H,10,12-14H2,1-8H3/b17-11+,18-15+,19-9-/t20-,22+,23+,24+,25+,26+,28+/m1/s1
SMILES C/C=C(/C)C(=O)OC1[C@H](O[C@H]2/C=C(C)CC/C=C(C)CC[C@H]2C(C)C)OC(C)[C@H](OC(C)=O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePittosporaceaePittosporum tobira Ref.
zoom in