input word = C00011737

Metabolite InformationStructural formula
Name Pittosporatobiraside B
Formula C26H38O5
Mw 430.27192432
CAS RN 127610-67-7
C_ID C00011737 ,
InChIKey JRRSUVCGCJXBHH-JPXHPCNTNA-N
InChICode InChI=1S/C26H38O5/c1-14(2)13-20(27)30-25-22-21-19(15(3)4)12-11-16(5)9-8-10-17(6)24(21)31-26(22)29-18(7)23(25)28/h9,13,15,18-19,21-22,24-26H,6,8,10-12H2,1-5,7H3/b16-9+/t18-,19-,21+,22-,24+,25-,26+/m1/s1
SMILES [C@@H]12[C@@H]([C@H](CC/C(=C/CCC1=C)/C)C(C)C)[C@H]1[C@H](O2)O[C@@H](C(=O)[C@@H]1OC(=O)C=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePittosporaceaePittosporum tobira Ref.
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