input word = C00011736

Metabolite InformationStructural formula
Name Pittosporatobiraside A
Formula C26H38O5
Mw 430.27192432
CAS RN 115526-27-7
C_ID C00011736 ,
InChIKey KHODMBPNDVATHO-FGWNUZGQNA-N
InChICode InChI=1S/C26H38O5/c1-8-16(5)25(28)30-24-21-20-19(14(2)3)13-12-15(4)10-9-11-17(6)23(20)31-26(21)29-18(7)22(24)27/h8,10,14,18-21,23-24,26H,6,9,11-13H2,1-5,7H3/b15-10+,16-8-/t18-,19-,20+,21-,23+,24-,26+/m1/s1
SMILES C=C1CC/C=C(C)CC[C@H](C(C)C)[C@H]2C3[C@H](O[C@H]12)O[C@H](C)C(=O)[C@H]3OC(=O)/C(C)=CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePittosporaceaePittosporum tobira Ref.
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